Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649202 | 6pv1 RC | 30642 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 -15.235 0.059 -3.329
2 H2 ARG 1 HT2 ARG 1 -15.523 0.771 -4.833
3 H3 ARG 1 HT3 ARG 1 -14.783 1.662 -3.604
4 HA ARG 1 HA ARG 1 -13.639 -0.721 -4.922
5 HB2 ARG 1 HB2 ARG 1 -13.653 1.213 -6.417
6 HB3 ARG 1 HB1 ARG 1 -12.931 2.211 -5.163
7 HG2 ARG 1 HG2 ARG 1 -10.933 0.733 -5.223
8 HG3 ARG 1 HG1 ARG 1 -11.657 -0.114 -6.591
9 HD2 ARG 1 HD2 ARG 1 -11.681 1.959 -7.873
10 HD3 ARG 1 HD1 ARG 1 -10.994 2.828 -6.501
11 HE ARG 1 HE ARG 1 -9.437 0.584 -7.469
12 HH11 ARG 1 HH11 ARG 1 -8.412 4.400 -8.225
13 HH12 ARG 1 HH12 ARG 1 -9.986 4.041 -7.593
14 HH21 ARG 1 HH21 ARG 1 -6.914 2.692 -8.625
15 HH22 ARG 1 HH22 ARG 1 -7.361 1.048 -8.290
16 HA PRO 2 HA PRO 2 -11.330 -0.425 -1.038
17 HB2 PRO 2 HB2 PRO 2 -10.813 -3.032 -0.771
18 HB3 PRO 2 HB1 PRO 2 -12.410 -2.376 -0.396
19 HG2 PRO 2 HG2 PRO 2 -11.491 -3.857 -2.821
20 HG3 PRO 2 HG1 PRO 2 -13.028 -3.983 -1.947
21 HD2 PRO 2 HD2 PRO 2 -12.637 -2.521 -4.271
22 HD3 PRO 2 HD1 PRO 2 -13.952 -2.256 -3.112
23 H PHE 3 HN PHE 3 -9.122 -0.408 -0.709
24 HA PHE 3 HA PHE 3 -7.506 -0.992 -3.088
25 HB2 PHE 3 HB2 PHE 3 -6.936 0.808 -0.724
26 HB3 PHE 3 HB1 PHE 3 -5.849 0.551 -2.081
27 HD1 PHE 3 HD1 PHE 3 -6.527 1.288 -4.352
28 HD2 PHE 3 HD2 PHE 3 -8.745 2.321 -0.872
29 HE1 PHE 3 HE1 PHE 3 -7.650 3.080 -5.605
30 HE2 PHE 3 HE2 PHE 3 -9.872 4.112 -2.118
31 HZ PHE 3 HZ PHE 3 -9.329 4.495 -4.489
32 H NLE 4 HN NLE 4 -6.017 -2.564 -3.034
33 HA NLE 4 HA NLE 4 -5.234 -3.616 -0.409
34 HB2 NLE 4 HB1 NLE 4 -6.016 -5.269 -2.815
35 HB3 NLE 4 HB2 NLE 4 -6.950 -5.099 -1.335
36 HG2 NLE 4 HG1 NLE 4 -5.214 -6.212 -0.071
37 HG3 NLE 4 HG2 NLE 4 -4.196 -6.305 -1.509
38 HD2 NLE 4 HD1 NLE 4 -5.884 -7.724 -2.600
39 HD3 NLE 4 HD2 NLE 4 -6.869 -7.656 -1.130
40 HE1 NLE 4 HE1 NLE 4 -5.547 -9.710 -1.216
41 HE2 NLE 4 HE2 NLE 4 -5.052 -8.690 0.134
42 HE3 NLE 4 HE3 NLE 4 -4.068 -8.757 -1.329
43 H CYS 5 HN CYS 5 -3.148 -3.909 -0.167
44 HA CYS 5 HA CYS 5 -1.345 -3.353 -2.333
45 HB2 CYS 5 HB2 CYS 5 -0.807 -2.529 -0.122
46 HB3 CYS 5 HB1 CYS 5 -0.873 -4.160 0.534
47 H THR 6 HN THR 6 -1.174 -4.897 -3.826
48 HA THR 6 HA THR 6 -1.144 -7.697 -3.048
49 HB THR 6 HB THR 6 -1.008 -8.046 -5.568
50 HG1 THR 6 HG1 THR 6 -1.047 -6.332 -6.852
51 HG21 THR 6 HG21 THR 6 -3.111 -8.248 -4.348
52 HG22 THR 6 HG22 THR 6 -3.380 -7.489 -5.917
53 HG23 THR 6 HG23 THR 6 -3.356 -6.504 -4.452
54 H TRP 7 HN TRP 7 1.089 -6.138 -2.190
55 HA TRP 7 HA TRP 7 3.348 -6.752 -3.828
56 HB2 TRP 7 HB2 TRP 7 3.270 -4.917 -2.097
57 HB3 TRP 7 HB1 TRP 7 3.300 -6.165 -0.865
58 HD1 TRP 7 HD1 TRP 7 5.619 -7.385 -0.404
59 HE1 TRP 7 HE1 TRP 7 8.040 -6.822 -1.075
60 HE3 TRP 7 HE3 TRP 7 4.656 -3.912 -4.015
61 HZ2 TRP 7 HZ2 TRP 7 9.361 -5.120 -2.900
62 HZ3 TRP 7 HZ3 TRP 7 6.555 -2.860 -5.176
63 HH2 TRP 7 HH2 TRP 7 8.851 -3.450 -4.629
64 H AIB 8 HN AIB 8 5.024 -8.258 -3.215
65 HB11 AIB 8 HB11 AIB 8 6.581 -10.085 -3.580
66 HB12 AIB 8 HB12 AIB 8 6.657 -11.303 -2.308
67 HB13 AIB 8 HB13 AIB 8 6.843 -9.596 -1.907
68 HB21 AIB 8 HB21 AIB 8 3.116 -11.069 -3.240
69 HB22 AIB 8 HB22 AIB 8 4.435 -12.197 -2.942
70 HB23 AIB 8 HB23 AIB 8 4.540 -11.051 -4.277
71 H GLY 9 HN GLY 9 2.774 -11.335 -1.399
72 HA2 GLY 9 HA2 GLY 9 2.126 -12.216 0.606
73 HA3 GLY 9 HA1 GLY 9 3.811 -12.182 1.090
74 H CYS 10 HN CYS 10 1.637 -9.486 0.244
75 HA CYS 10 HA CYS 10 2.066 -8.486 2.975
76 HB2 CYS 10 HB2 CYS 10 2.990 -7.095 1.116
77 HB3 CYS 10 HB1 CYS 10 1.344 -6.863 0.547
78 H GLY 11 HN GLY 11 -0.349 -7.706 0.457
79 HA2 GLY 11 HA2 GLY 11 -2.627 -7.888 0.457
80 HA3 GLY 11 HA1 GLY 11 -2.449 -9.147 1.664
81 H LYS 12 HN LYS 12 -1.402 -5.809 2.071
82 HA LYS 12 HA LYS 12 -3.253 -5.531 4.298
83 HB2 LYS 12 HB2 LYS 12 -0.830 -4.828 4.453
84 HB3 LYS 12 HB1 LYS 12 -1.207 -3.527 3.332
85 HG2 LYS 12 HG2 LYS 12 -2.684 -2.510 4.877
86 HG3 LYS 12 HG1 LYS 12 -2.623 -3.908 5.952
87 HD2 LYS 12 HD2 LYS 12 -0.272 -3.483 6.398
88 HD3 LYS 12 HD1 LYS 12 -0.290 -2.119 5.283
89 HE2 LYS 12 HE2 LYS 12 -0.458 -1.300 7.539
90 HE3 LYS 12 HE1 LYS 12 -1.983 -1.024 6.703
91 HZ1 LYS 12 HZ1 LYS 12 -2.379 -1.854 8.916
92 HZ2 LYS 12 HZ2 LYS 12 -1.419 -3.215 8.626
93 HZ3 LYS 12 HZ3 LYS 12 -2.872 -3.012 7.786
94 H ARG 13 HN ARG 13 -4.991 -4.154 4.320
95 HA ARG 13 HA ARG 13 -5.740 -3.125 1.666
96 HB2 ARG 13 HB2 ARG 13 -7.494 -4.128 3.911
97 HB3 ARG 13 HB1 ARG 13 -8.087 -3.454 2.399
98 HG2 ARG 13 HG2 ARG 13 -7.089 -5.260 1.154
99 HG3 ARG 13 HG1 ARG 13 -6.360 -5.907 2.625
100 HD2 ARG 13 HD2 ARG 13 -9.314 -5.637 2.093
101 HD3 ARG 13 HD1 ARG 13 -8.386 -7.130 2.003
102 HE ARG 13 HE ARG 13 -8.441 -5.651 4.531
103 HH11 ARG 13 HH11 ARG 13 -9.865 -9.380 4.057
104 HH12 ARG 13 HH12 ARG 13 -9.327 -8.485 2.674
105 HH21 ARG 13 HH21 ARG 13 -9.131 -6.832 6.353
106 HH22 ARG 13 HH22 ARG 13 -9.736 -8.448 6.153
107 H PHE 14 HN PHE 14 -6.750 -1.186 1.439
108 HA PHE 14 HA PHE 14 -6.967 0.581 3.770
109 HB2 PHE 14 HB2 PHE 14 -5.649 1.369 1.160
110 HB3 PHE 14 HB1 PHE 14 -5.827 2.373 2.593
111 HD1 PHE 14 HD1 PHE 14 -4.441 2.041 4.527
112 HD2 PHE 14 HD2 PHE 14 -3.995 -0.377 1.056
113 HE1 PHE 14 HE1 PHE 14 -2.267 1.258 5.357
114 HE2 PHE 14 HE2 PHE 14 -1.816 -1.169 1.881
115 HZ PHE 14 HZ PHE 14 -0.955 -0.349 4.034
116 H THR 15 HN THR 15 -8.422 2.355 3.424
117 HA THR 15 HA THR 15 -10.378 1.855 1.301
118 HB THR 15 HB THR 15 -10.630 3.781 3.619
119 HG1 THR 15 HG1 THR 15 -11.101 0.988 3.447
120 HG21 THR 15 HG21 THR 15 -12.228 4.085 1.769
121 HG22 THR 15 HG22 THR 15 -13.028 3.527 3.237
122 HG23 THR 15 HG23 THR 15 -12.713 2.395 1.921
123 H ARG 16 HN ARG 16 -7.755 3.808 2.025
124 HA ARG 16 HA ARG 16 -8.603 5.857 0.098
125 HB2 ARG 16 HB2 ARG 16 -6.725 6.016 2.448
126 HB3 ARG 16 HB1 ARG 16 -6.784 7.253 1.201
127 HG2 ARG 16 HG2 ARG 16 -9.130 6.413 2.878
128 HG3 ARG 16 HG1 ARG 16 -8.096 7.801 3.219
129 HD2 ARG 16 HD2 ARG 16 -9.837 7.375 0.794
130 HD3 ARG 16 HD1 ARG 16 -10.069 8.563 2.075
131 HE ARG 16 HE ARG 16 -7.528 8.901 0.843
132 HH11 ARG 16 HH11 ARG 16 -10.945 9.482 0.314
133 HH12 ARG 16 HH12 ARG 16 -10.680 10.806 -0.773
134 HH21 ARG 16 HH21 ARG 16 -7.178 10.632 -0.570
135 HH22 ARG 16 HH22 ARG 16 -8.528 11.471 -1.270
136 H SER 17 HN SER 17 -7.432 6.163 -1.687
137 HA SER 17 HA SER 17 -5.522 4.237 -2.499
138 HB2 SER 17 HB2 SER 17 -5.253 5.803 -4.477
139 HB3 SER 17 HB1 SER 17 -6.898 5.249 -4.172
140 HG SER 17 HG SER 17 -7.478 7.231 -3.813
141 H ASP 18 HN ASP 18 -5.300 7.522 -1.289
142 HA ASP 18 HA ASP 18 -2.535 7.894 -1.713
143 HB2 ASP 18 HB2 ASP 18 -2.733 9.660 0.035
144 HB3 ASP 18 HB1 ASP 18 -3.948 9.795 -1.230
145 H GLU 19 HN GLU 19 -4.380 6.445 0.886
146 HA GLU 19 HA GLU 19 -2.269 5.976 2.680
147 HB2 GLU 19 HB2 GLU 19 -4.932 4.692 2.231
148 HB3 GLU 19 HB1 GLU 19 -3.783 3.938 3.322
149 HG2 GLU 19 HG2 GLU 19 -4.933 6.702 3.546
150 HG3 GLU 19 HG1 GLU 19 -5.312 5.307 4.555
151 H LEU 20 HN LEU 20 -3.627 3.970 0.088
152 HA LEU 20 HA LEU 20 -1.921 1.776 0.419
153 HB2 LEU 20 HB2 LEU 20 -3.881 1.580 -0.942
154 HB3 LEU 20 HB1 LEU 20 -3.326 2.842 -2.024
155 HG LEU 20 HG LEU 20 -1.455 1.367 -2.734
156 HD11 LEU 20 HD11 LEU 20 -1.280 -0.019 -0.754
157 HD12 LEU 20 HD12 LEU 20 -1.563 -1.016 -2.181
158 HD13 LEU 20 HD13 LEU 20 -2.882 -0.692 -1.058
159 HD21 LEU 20 HD21 LEU 20 -3.598 1.498 -3.980
160 HD22 LEU 20 HD22 LEU 20 -4.163 0.089 -3.080
161 HD23 LEU 20 HD23 LEU 20 -2.773 -0.052 -4.155
162 H GLN 21 HN GLN 21 -1.566 4.636 -1.678
163 HA GLN 21 HA GLN 21 0.871 3.809 -2.838
164 HB2 GLN 21 HB2 GLN 21 -0.161 6.621 -2.441
165 HB3 GLN 21 HB1 GLN 21 1.160 6.162 -3.507
166 HG2 GLN 21 HG2 GLN 21 -1.751 5.492 -3.773
167 HG3 GLN 21 HG1 GLN 21 -0.752 6.457 -4.853
168 HE21 GLN 21 HE21 GLN 21 -2.386 4.143 -5.442
169 HE22 GLN 21 HE22 GLN 21 -1.327 2.948 -6.106
170 H ARG 22 HN ARG 22 0.188 5.959 -0.112
171 HA ARG 22 HA ARG 22 2.745 6.590 0.719
172 HB2 ARG 22 HB2 ARG 22 0.787 7.573 1.736
173 HB3 ARG 22 HB1 ARG 22 0.255 6.009 2.324
174 HG2 ARG 22 HG2 ARG 22 2.231 5.934 3.806
175 HG3 ARG 22 HG1 ARG 22 2.660 7.558 3.258
176 HD2 ARG 22 HD2 ARG 22 0.624 8.463 4.137
177 HD3 ARG 22 HD1 ARG 22 0.012 6.854 4.514
178 HE ARG 22 HE ARG 22 2.476 7.693 5.832
179 HH11 ARG 22 HH11 ARG 22 -1.038 7.225 7.743
180 HH12 ARG 22 HH12 ARG 22 -0.997 7.229 6.009
181 HH21 ARG 22 HH21 ARG 22 0.906 7.493 8.945
182 HH22 ARG 22 HH22 ARG 22 2.420 7.701 8.124
183 H HIS 23 HN HIS 23 0.757 3.818 1.644
184 HA HIS 23 HA HIS 23 2.599 2.517 3.280
185 HB2 HIS 23 HB2 HIS 23 0.354 1.783 3.380
186 HB3 HIS 23 HB1 HIS 23 0.256 1.577 1.637
187 HD1 HIS 23 HD1 HIS 23 1.307 -0.234 4.765
188 HD2 HIS 23 HD2 HIS 23 1.354 -0.748 0.629
189 HE1 HIS 23 HE1 HIS 23 1.944 -2.671 4.333
190 H LYS 24 HN LYS 24 2.014 2.179 -0.209
191 HA LYS 24 HA LYS 24 3.757 0.077 -0.731
192 HB2 LYS 24 HB2 LYS 24 2.842 2.380 -2.425
193 HB3 LYS 24 HB1 LYS 24 3.940 1.162 -3.052
194 HG2 LYS 24 HG2 LYS 24 1.196 0.605 -1.949
195 HG3 LYS 24 HG1 LYS 24 1.598 0.746 -3.661
196 HD2 LYS 24 HD2 LYS 24 3.281 -1.111 -3.271
197 HD3 LYS 24 HD1 LYS 24 2.514 -1.345 -1.700
198 HE2 LYS 24 HE2 LYS 24 1.588 -2.896 -3.301
199 HE3 LYS 24 HE1 LYS 24 0.364 -1.720 -2.829
200 HZ1 LYS 24 HZ1 LYS 24 1.987 -1.545 -5.305
201 HZ2 LYS 24 HZ2 LYS 24 0.697 -0.545 -4.871
202 HZ3 LYS 24 HZ3 LYS 24 0.420 -2.174 -5.232
203 H ARG 25 HN ARG 25 4.443 3.425 -0.128
204 HA ARG 25 HA ARG 25 6.992 3.531 -1.324
205 HB2 ARG 25 HB2 ARG 25 5.955 5.116 1.026
206 HB3 ARG 25 HB1 ARG 25 7.352 5.528 0.044
207 HG2 ARG 25 HG2 ARG 25 5.771 5.593 -1.933
208 HG3 ARG 25 HG1 ARG 25 4.460 5.526 -0.754
209 HD2 ARG 25 HD2 ARG 25 4.792 7.814 -1.240
210 HD3 ARG 25 HD1 ARG 25 5.518 7.538 0.344
211 HE ARG 25 HE ARG 25 7.343 7.298 -1.881
212 HH11 ARG 25 HH11 ARG 25 7.229 10.613 0.397
213 HH12 ARG 25 HH12 ARG 25 5.946 9.451 0.508
214 HH21 ARG 25 HH21 ARG 25 9.023 8.836 -2.042
215 HH22 ARG 25 HH22 ARG 25 8.981 10.263 -1.052
216 H THR 26 HN THR 26 5.925 1.983 1.548
217 HA THR 26 HA THR 26 8.506 1.992 2.827
218 HB THR 26 HB THR 26 7.550 0.415 4.433
219 HG1 THR 26 HG1 THR 26 5.126 0.545 2.943
220 HG21 THR 26 HG21 THR 26 7.111 2.816 4.726
221 HG22 THR 26 HG22 THR 26 5.784 1.829 5.339
222 HG23 THR 26 HG23 THR 26 5.627 2.652 3.787
223 H HIS 27 HN HIS 27 6.893 0.073 0.450
224 HA HIS 27 HA HIS 27 8.637 -2.215 0.763
225 HB2 HIS 27 HB2 HIS 27 6.646 -1.478 -1.387
226 HB3 HIS 27 HB1 HIS 27 7.615 -2.945 -1.425
227 HD1 HIS 27 HD1 HIS 27 7.201 -4.470 0.971
228 HD2 HIS 27 HD2 HIS 27 4.243 -1.888 -0.416
229 HE1 HIS 27 HE1 HIS 27 4.998 -5.288 1.962
230 H THR 28 HN THR 28 8.243 0.495 -1.474
231 HA THR 28 HA THR 28 10.351 -0.277 -3.197
232 HB THR 28 HB THR 28 10.223 2.220 -3.863
233 HG1 THR 28 HG1 THR 28 7.899 2.855 -3.148
234 HG21 THR 28 HG21 THR 28 7.805 0.426 -4.107
235 HG22 THR 28 HG22 THR 28 9.219 0.411 -5.163
236 HG23 THR 28 HG23 THR 28 8.158 1.819 -5.129
237 H GLY 29 HN GLY 29 10.203 1.661 -0.289
238 HA2 GLY 29 HA2 GLY 29 12.128 1.667 1.154
239 HA3 GLY 29 HA1 GLY 29 13.144 1.639 -0.278
240 H GLU 30 HN GLU 30 10.367 3.729 -0.048
241 HA GLU 30 HA GLU 30 12.142 6.013 -0.345
242 HB2 GLU 30 HB2 GLU 30 9.134 5.811 -0.449
243 HB3 GLU 30 HB1 GLU 30 10.039 7.289 -0.708
244 HG2 GLU 30 HG2 GLU 30 11.171 6.150 -2.628
245 HG3 GLU 30 HG1 GLU 30 10.023 4.825 -2.424
246 H LYS 31 HN LYS 31 12.907 5.625 1.941
247 HA LYS 31 HA LYS 31 11.193 7.226 3.706
248 HB2 LYS 31 HB2 LYS 31 12.118 6.012 5.648
249 HB3 LYS 31 HB1 LYS 31 11.195 4.976 4.577
250 HG2 LYS 31 HG2 LYS 31 13.200 3.999 3.695
251 HG3 LYS 31 HG1 LYS 31 14.200 5.148 4.590
252 HD2 LYS 31 HD2 LYS 31 13.234 4.235 6.702
253 HD3 LYS 31 HD1 LYS 31 12.416 3.005 5.740
254 HE2 LYS 31 HE2 LYS 31 15.397 3.424 5.776
255 HE3 LYS 31 HE1 LYS 31 14.554 2.259 6.790
256 HZ1 LYS 31 HZ1 LYS 31 15.473 1.267 4.773
257 HZ2 LYS 31 HZ2 LYS 31 14.500 2.271 3.826
258 HZ3 LYS 31 HZ3 LYS 31 13.790 1.117 4.836
259 HN1 NH2 32 HN1 NH2 32 12.516 8.797 2.396
260 HN2 NH2 32 HN2 NH2 32 13.995 9.335 3.117
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 -13.411 1.949 -5.178
2 H2 ARG 1 HT2 ARG 1 -14.616 1.097 -4.359
3 H3 ARG 1 HT3 ARG 1 -14.568 1.072 -6.047
4 HA ARG 1 HA ARG 1 -13.735 -0.991 -5.183
5 HB2 ARG 1 HB2 ARG 1 -11.594 0.819 -6.317
6 HB3 ARG 1 HB1 ARG 1 -11.433 -0.923 -6.178
7 HG2 ARG 1 HG2 ARG 1 -13.305 -1.230 -7.708
8 HG3 ARG 1 HG1 ARG 1 -13.488 0.522 -7.840
9 HD2 ARG 1 HD2 ARG 1 -11.196 0.668 -8.716
10 HD3 ARG 1 HD1 ARG 1 -11.059 -1.085 -8.625
11 HE ARG 1 HE ARG 1 -13.181 -0.851 -10.192
12 HH11 ARG 1 HH11 ARG 1 -10.179 1.153 -11.956
13 HH12 ARG 1 HH12 ARG 1 -10.164 0.911 -10.240
14 HH21 ARG 1 HH21 ARG 1 -11.916 0.345 -13.220
15 HH22 ARG 1 HH22 ARG 1 -13.217 -0.517 -12.465
16 HA PRO 2 HA PRO 2 -11.527 -0.626 -1.274
17 HB2 PRO 2 HB2 PRO 2 -11.038 -3.270 -0.921
18 HB3 PRO 2 HB1 PRO 2 -12.614 -2.545 -0.590
19 HG2 PRO 2 HG2 PRO 2 -11.701 -4.082 -2.987
20 HG3 PRO 2 HG1 PRO 2 -13.244 -4.175 -2.118
21 HD2 PRO 2 HD2 PRO 2 -12.942 -2.802 -4.444
22 HD3 PRO 2 HD1 PRO 2 -14.102 -2.326 -3.191
23 H PHE 3 HN PHE 3 -9.357 -0.464 -0.814
24 HA PHE 3 HA PHE 3 -7.580 -1.056 -3.059
25 HB2 PHE 3 HB2 PHE 3 -7.181 0.751 -0.666
26 HB3 PHE 3 HB1 PHE 3 -6.019 0.523 -1.970
27 HD1 PHE 3 HD1 PHE 3 -6.667 1.172 -4.297
28 HD2 PHE 3 HD2 PHE 3 -8.957 2.267 -0.885
29 HE1 PHE 3 HE1 PHE 3 -7.784 2.920 -5.617
30 HE2 PHE 3 HE2 PHE 3 -10.079 4.019 -2.195
31 HZ PHE 3 HZ PHE 3 -9.496 4.347 -4.567
32 H NLE 4 HN NLE 4 -6.054 -2.558 -2.961
33 HA NLE 4 HA NLE 4 -5.305 -3.637 -0.346
34 HB2 NLE 4 HB1 NLE 4 -6.245 -5.292 -2.694
35 HB3 NLE 4 HB2 NLE 4 -7.085 -5.094 -1.164
36 HG2 NLE 4 HG1 NLE 4 -5.328 -6.267 0.003
37 HG3 NLE 4 HG2 NLE 4 -4.373 -6.366 -1.478
38 HD2 NLE 4 HD1 NLE 4 -6.159 -7.725 -2.510
39 HD3 NLE 4 HD2 NLE 4 -7.047 -7.676 -0.979
40 HE1 NLE 4 HE1 NLE 4 -5.175 -8.768 0.143
41 HE2 NLE 4 HE2 NLE 4 -4.281 -8.806 -1.374
42 HE3 NLE 4 HE3 NLE 4 -5.759 -9.748 -1.201
43 H CYS 5 HN CYS 5 -3.204 -3.747 -0.178
44 HA CYS 5 HA CYS 5 -1.427 -3.350 -2.348
45 HB2 CYS 5 HB2 CYS 5 -0.819 -2.689 -0.083
46 HB3 CYS 5 HB1 CYS 5 -0.928 -4.361 0.450
47 H THR 6 HN THR 6 -1.197 -4.808 -3.909
48 HA THR 6 HA THR 6 -1.759 -7.602 -3.375
49 HB THR 6 HB THR 6 -0.957 -6.473 -6.048
50 HG1 THR 6 HG1 THR 6 -3.002 -5.627 -4.543
51 HG21 THR 6 HG21 THR 6 -2.463 -8.190 -6.900
52 HG22 THR 6 HG22 THR 6 -2.913 -8.639 -5.256
53 HG23 THR 6 HG23 THR 6 -1.267 -8.916 -5.825
54 H TRP 7 HN TRP 7 0.793 -6.076 -2.566
55 HA TRP 7 HA TRP 7 2.959 -7.253 -3.939
56 HB2 TRP 7 HB2 TRP 7 3.061 -5.263 -2.364
57 HB3 TRP 7 HB1 TRP 7 2.935 -6.411 -1.042
58 HD1 TRP 7 HD1 TRP 7 5.059 -8.050 -0.641
59 HE1 TRP 7 HE1 TRP 7 7.545 -7.751 -1.242
60 HE3 TRP 7 HE3 TRP 7 4.610 -4.320 -4.087
61 HZ2 TRP 7 HZ2 TRP 7 9.107 -6.136 -2.951
62 HZ3 TRP 7 HZ3 TRP 7 6.645 -3.445 -5.160
63 HH2 TRP 7 HH2 TRP 7 8.844 -4.334 -4.605
64 H AIB 8 HN AIB 8 3.986 -9.135 -3.648
65 HB11 AIB 8 HB11 AIB 8 4.599 -11.385 -4.314
66 HB12 AIB 8 HB12 AIB 8 4.783 -12.541 -2.997
67 HB13 AIB 8 HB13 AIB 8 5.618 -10.989 -2.931
68 HB21 AIB 8 HB21 AIB 8 1.411 -11.218 -2.545
69 HB22 AIB 8 HB22 AIB 8 2.382 -12.683 -2.694
70 HB23 AIB 8 HB23 AIB 8 2.212 -11.594 -4.070
71 H GLY 9 HN GLY 9 1.906 -11.821 -0.799
72 HA2 GLY 9 HA2 GLY 9 2.266 -12.702 1.330
73 HA3 GLY 9 HA1 GLY 9 3.895 -12.054 1.301
74 H CYS 10 HN CYS 10 1.736 -9.652 0.375
75 HA CYS 10 HA CYS 10 1.866 -8.541 3.083
76 HB2 CYS 10 HB2 CYS 10 2.902 -7.323 1.120
77 HB3 CYS 10 HB1 CYS 10 1.266 -7.043 0.546
78 H GLY 11 HN GLY 11 -0.400 -7.703 0.460
79 HA2 GLY 11 HA2 GLY 11 -2.691 -7.792 0.383
80 HA3 GLY 11 HA1 GLY 11 -2.634 -8.971 1.681
81 H LYS 12 HN LYS 12 -1.201 -5.821 2.040
82 HA LYS 12 HA LYS 12 -2.833 -5.178 4.286
83 HB2 LYS 12 HB2 LYS 12 -0.384 -4.394 3.533
84 HB3 LYS 12 HB1 LYS 12 -1.305 -3.060 2.857
85 HG2 LYS 12 HG2 LYS 12 -0.666 -2.318 4.965
86 HG3 LYS 12 HG1 LYS 12 -2.341 -2.830 5.174
87 HD2 LYS 12 HD2 LYS 12 -1.561 -4.980 6.061
88 HD3 LYS 12 HD1 LYS 12 0.109 -4.452 5.860
89 HE2 LYS 12 HE2 LYS 12 -0.479 -4.140 8.147
90 HE3 LYS 12 HE1 LYS 12 -0.392 -2.550 7.396
91 HZ1 LYS 12 HZ1 LYS 12 -2.332 -2.767 8.819
92 HZ2 LYS 12 HZ2 LYS 12 -2.885 -4.076 7.904
93 HZ3 LYS 12 HZ3 LYS 12 -2.790 -2.538 7.211
94 H ARG 13 HN ARG 13 -4.762 -4.141 4.305
95 HA ARG 13 HA ARG 13 -5.758 -3.197 1.706
96 HB2 ARG 13 HB2 ARG 13 -6.911 -5.148 2.709
97 HB3 ARG 13 HB1 ARG 13 -7.334 -4.159 4.098
98 HG2 ARG 13 HG2 ARG 13 -8.743 -2.772 2.788
99 HG3 ARG 13 HG1 ARG 13 -8.162 -3.496 1.288
100 HD2 ARG 13 HD2 ARG 13 -9.743 -4.890 3.444
101 HD3 ARG 13 HD1 ARG 13 -10.360 -4.359 1.880
102 HE ARG 13 HE ARG 13 -8.229 -6.392 2.139
103 HH11 ARG 13 HH11 ARG 13 -11.401 -6.634 -0.316
104 HH12 ARG 13 HH12 ARG 13 -11.270 -5.302 0.785
105 HH21 ARG 13 HH21 ARG 13 -8.409 -8.158 0.718
106 HH22 ARG 13 HH22 ARG 13 -9.773 -8.265 -0.352
107 H PHE 14 HN PHE 14 -6.741 -1.248 1.482
108 HA PHE 14 HA PHE 14 -6.871 0.533 3.818
109 HB2 PHE 14 HB2 PHE 14 -5.640 1.287 1.157
110 HB3 PHE 14 HB1 PHE 14 -5.781 2.318 2.573
111 HD1 PHE 14 HD1 PHE 14 -4.384 1.953 4.524
112 HD2 PHE 14 HD2 PHE 14 -3.946 -0.384 1.001
113 HE1 PHE 14 HE1 PHE 14 -2.182 1.192 5.307
114 HE2 PHE 14 HE2 PHE 14 -1.741 -1.146 1.773
115 HZ PHE 14 HZ PHE 14 -0.886 -0.409 3.959
116 H THR 15 HN THR 15 -8.245 2.389 3.495
117 HA THR 15 HA THR 15 -10.442 1.842 1.655
118 HB THR 15 HB THR 15 -10.277 3.986 3.783
119 HG1 THR 15 HG1 THR 15 -10.020 1.811 4.621
120 HG21 THR 15 HG21 THR 15 -12.643 2.682 2.425
121 HG22 THR 15 HG22 THR 15 -12.050 4.315 2.121
122 HG23 THR 15 HG23 THR 15 -12.726 3.901 3.697
123 H ARG 16 HN ARG 16 -7.696 3.865 1.909
124 HA ARG 16 HA ARG 16 -8.748 5.568 -0.250
125 HB2 ARG 16 HB2 ARG 16 -6.720 6.379 1.836
126 HB3 ARG 16 HB1 ARG 16 -7.362 7.397 0.558
127 HG2 ARG 16 HG2 ARG 16 -9.620 7.119 1.607
128 HG3 ARG 16 HG1 ARG 16 -8.810 6.334 2.964
129 HD2 ARG 16 HD2 ARG 16 -8.779 9.182 2.119
130 HD3 ARG 16 HD1 ARG 16 -8.825 8.480 3.736
131 HE ARG 16 HE ARG 16 -6.462 9.018 2.113
132 HH11 ARG 16 HH11 ARG 16 -7.799 7.575 5.018
133 HH12 ARG 16 HH12 ARG 16 -6.257 7.415 5.795
134 HH21 ARG 16 HH21 ARG 16 -4.444 8.821 3.122
135 HH22 ARG 16 HH22 ARG 16 -4.337 8.094 4.709
136 H SER 17 HN SER 17 -7.374 6.075 -1.923
137 HA SER 17 HA SER 17 -5.445 4.081 -2.556
138 HB2 SER 17 HB2 SER 17 -5.133 5.577 -4.614
139 HB3 SER 17 HB1 SER 17 -6.744 4.911 -4.356
140 HG SER 17 HG SER 17 -5.855 7.531 -4.219
141 H ASP 18 HN ASP 18 -5.304 7.388 -1.401
142 HA ASP 18 HA ASP 18 -2.526 7.773 -1.895
143 HB2 ASP 18 HB2 ASP 18 -2.705 9.749 -0.522
144 HB3 ASP 18 HB1 ASP 18 -4.138 9.647 -1.533
145 H GLU 19 HN GLU 19 -4.369 6.352 0.674
146 HA GLU 19 HA GLU 19 -2.256 6.221 2.580
147 HB2 GLU 19 HB2 GLU 19 -4.777 6.016 3.018
148 HB3 GLU 19 HB1 GLU 19 -4.624 4.362 2.450
149 HG2 GLU 19 HG2 GLU 19 -4.558 4.443 4.857
150 HG3 GLU 19 HG1 GLU 19 -3.008 3.902 4.215
151 H LEU 20 HN LEU 20 -3.622 3.980 0.201
152 HA LEU 20 HA LEU 20 -1.849 1.845 0.602
153 HB2 LEU 20 HB2 LEU 20 -3.823 1.528 -0.717
154 HB3 LEU 20 HB1 LEU 20 -3.348 2.790 -1.835
155 HG LEU 20 HG LEU 20 -1.480 1.385 -2.620
156 HD11 LEU 20 HD11 LEU 20 -2.667 -0.715 -0.817
157 HD12 LEU 20 HD12 LEU 20 -1.111 0.084 -0.592
158 HD13 LEU 20 HD13 LEU 20 -1.372 -0.964 -1.985
159 HD21 LEU 20 HD21 LEU 20 -3.673 1.340 -3.741
160 HD22 LEU 20 HD22 LEU 20 -4.142 -0.023 -2.726
161 HD23 LEU 20 HD23 LEU 20 -2.814 -0.193 -3.871
162 H GLN 21 HN GLN 21 -1.650 4.659 -1.546
163 HA GLN 21 HA GLN 21 0.784 4.056 -2.777
164 HB2 GLN 21 HB2 GLN 21 -0.739 5.860 -3.499
165 HB3 GLN 21 HB1 GLN 21 -0.325 6.777 -2.058
166 HG2 GLN 21 HG2 GLN 21 0.855 7.605 -4.008
167 HG3 GLN 21 HG1 GLN 21 1.976 6.957 -2.813
168 HE21 GLN 21 HE21 GLN 21 3.566 6.673 -4.372
169 HE22 GLN 21 HE22 GLN 21 3.492 5.399 -5.538
170 H ARG 22 HN ARG 22 0.133 5.945 0.156
171 HA ARG 22 HA ARG 22 2.737 6.536 0.917
172 HB2 ARG 22 HB2 ARG 22 0.867 7.525 2.064
173 HB3 ARG 22 HB1 ARG 22 0.286 5.950 2.578
174 HG2 ARG 22 HG2 ARG 22 2.366 5.707 3.936
175 HG3 ARG 22 HG1 ARG 22 2.757 7.378 3.525
176 HD2 ARG 22 HD2 ARG 22 0.758 8.169 4.598
177 HD3 ARG 22 HD1 ARG 22 0.198 6.520 4.867
178 HE ARG 22 HE ARG 22 2.699 7.433 6.110
179 HH11 ARG 22 HH11 ARG 22 -0.491 6.047 8.126
180 HH12 ARG 22 HH12 ARG 22 -0.614 6.312 6.411
181 HH21 ARG 22 HH21 ARG 22 1.488 6.475 9.227
182 HH22 ARG 22 HH22 ARG 22 2.862 7.071 8.350
183 H HIS 23 HN HIS 23 0.764 3.697 1.624
184 HA HIS 23 HA HIS 23 2.594 2.356 3.261
185 HB2 HIS 23 HB2 HIS 23 0.358 1.598 3.293
186 HB3 HIS 23 HB1 HIS 23 0.302 1.433 1.544
187 HD1 HIS 23 HD1 HIS 23 1.475 -0.389 4.646
188 HD2 HIS 23 HD2 HIS 23 1.322 -0.894 0.508
189 HE1 HIS 23 HE1 HIS 23 2.117 -2.812 4.179
190 H LYS 24 HN LYS 24 2.092 2.187 -0.255
191 HA LYS 24 HA LYS 24 3.781 0.039 -0.794
192 HB2 LYS 24 HB2 LYS 24 3.018 2.409 -2.484
193 HB3 LYS 24 HB1 LYS 24 4.008 1.092 -3.095
194 HG2 LYS 24 HG2 LYS 24 2.166 -0.475 -2.538
195 HG3 LYS 24 HG1 LYS 24 1.179 0.916 -2.088
196 HD2 LYS 24 HD2 LYS 24 1.253 1.779 -4.311
197 HD3 LYS 24 HD1 LYS 24 2.453 0.578 -4.795
198 HE2 LYS 24 HE2 LYS 24 -0.358 -0.041 -3.899
199 HE3 LYS 24 HE1 LYS 24 0.172 0.038 -5.577
200 HZ1 LYS 24 HZ1 LYS 24 1.274 -1.828 -3.546
201 HZ2 LYS 24 HZ2 LYS 24 1.660 -1.790 -5.191
202 HZ3 LYS 24 HZ3 LYS 24 0.106 -2.237 -4.698
203 H ARG 25 HN ARG 25 4.572 3.310 -0.027
204 HA ARG 25 HA ARG 25 7.135 3.477 -1.147
205 HB2 ARG 25 HB2 ARG 25 6.130 4.739 1.405
206 HB3 ARG 25 HB1 ARG 25 7.545 5.249 0.493
207 HG2 ARG 25 HG2 ARG 25 6.156 5.889 -1.373
208 HG3 ARG 25 HG1 ARG 25 4.722 5.284 -0.546
209 HD2 ARG 25 HD2 ARG 25 5.182 6.921 1.282
210 HD3 ARG 25 HD1 ARG 25 6.458 7.602 0.274
211 HE ARG 25 HE ARG 25 4.441 7.782 -1.399
212 HH11 ARG 25 HH11 ARG 25 3.241 9.672 1.938
213 HH12 ARG 25 HH12 ARG 25 4.509 8.490 2.027
214 HH21 ARG 25 HH21 ARG 25 2.774 9.333 -1.524
215 HH22 ARG 25 HH22 ARG 25 2.254 10.153 -0.085
216 H THR 26 HN THR 26 5.988 1.638 1.522
217 HA THR 26 HA THR 26 8.533 1.440 2.851
218 HB THR 26 HB THR 26 7.464 -0.238 4.284
219 HG1 THR 26 HG1 THR 26 5.055 0.162 2.832
220 HG21 THR 26 HG21 THR 26 5.739 1.185 5.269
221 HG22 THR 26 HG22 THR 26 5.686 2.157 3.798
222 HG23 THR 26 HG23 THR 26 7.142 2.143 4.796
223 H HIS 27 HN HIS 27 6.943 -0.215 0.267
224 HA HIS 27 HA HIS 27 8.712 -2.519 0.448
225 HB2 HIS 27 HB2 HIS 27 6.667 -1.758 -1.647
226 HB3 HIS 27 HB1 HIS 27 7.623 -3.234 -1.680
227 HD1 HIS 27 HD1 HIS 27 7.167 -4.826 0.629
228 HD2 HIS 27 HD2 HIS 27 4.282 -2.058 -0.559
229 HE1 HIS 27 HE1 HIS 27 4.955 -5.586 1.653
230 H THR 28 HN THR 28 8.221 0.358 -1.536
231 HA THR 28 HA THR 28 10.290 -0.289 -3.390
232 HB THR 28 HB THR 28 10.012 2.115 -4.107
233 HG1 THR 28 HG1 THR 28 9.223 3.217 -2.413
234 HG21 THR 28 HG21 THR 28 7.776 1.755 -5.060
235 HG22 THR 28 HG22 THR 28 7.509 0.429 -3.930
236 HG23 THR 28 HG23 THR 28 8.758 0.295 -5.164
237 H GLY 29 HN GLY 29 10.144 1.420 -0.356
238 HA2 GLY 29 HA2 GLY 29 12.935 2.277 -0.664
239 HA3 GLY 29 HA1 GLY 29 11.831 2.796 0.603
240 H GLU 30 HN GLU 30 14.528 1.074 0.149
241 HA GLU 30 HA GLU 30 13.896 -1.300 1.634
242 HB2 GLU 30 HB2 GLU 30 15.669 -1.232 -0.093
243 HB3 GLU 30 HB1 GLU 30 16.593 -0.140 0.928
244 HG2 GLU 30 HG2 GLU 30 16.758 -1.869 2.636
245 HG3 GLU 30 HG1 GLU 30 15.823 -2.963 1.616
246 H LYS 31 HN LYS 31 15.584 1.744 2.297
247 HA LYS 31 HA LYS 31 15.414 1.105 5.164
248 HB2 LYS 31 HB2 LYS 31 17.134 2.953 5.423
249 HB3 LYS 31 HB1 LYS 31 17.693 1.489 4.631
250 HG2 LYS 31 HG2 LYS 31 17.632 2.529 2.492
251 HG3 LYS 31 HG1 LYS 31 16.795 3.940 3.136
252 HD2 LYS 31 HD2 LYS 31 19.155 4.426 2.765
253 HD3 LYS 31 HD1 LYS 31 18.766 4.490 4.485
254 HE2 LYS 31 HE2 LYS 31 20.878 3.356 4.151
255 HE3 LYS 31 HE1 LYS 31 19.675 2.219 4.753
256 HZ1 LYS 31 HZ1 LYS 31 21.002 1.280 2.961
257 HZ2 LYS 31 HZ2 LYS 31 20.496 2.507 1.915
258 HZ3 LYS 31 HZ3 LYS 31 19.378 1.392 2.513
259 HN1 NH2 32 HN1 NH2 32 13.111 1.710 4.749
260 HN2 NH2 32 HN2 NH2 32 12.684 3.377 4.939
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 -13.256 1.217 -4.710
2 H2 ARG 1 HT2 ARG 1 -14.429 0.451 -3.767
3 H3 ARG 1 HT3 ARG 1 -14.462 0.289 -5.450
4 HA ARG 1 HA ARG 1 -13.613 -1.694 -4.360
5 HB2 ARG 1 HB2 ARG 1 -11.655 -1.976 -5.761
6 HB3 ARG 1 HB1 ARG 1 -12.858 -1.050 -6.647
7 HG2 ARG 1 HG2 ARG 1 -11.655 1.007 -6.183
8 HG3 ARG 1 HG1 ARG 1 -10.473 0.116 -5.223
9 HD2 ARG 1 HD2 ARG 1 -9.586 0.558 -7.431
10 HD3 ARG 1 HD1 ARG 1 -9.847 -1.171 -7.220
11 HE ARG 1 HE ARG 1 -12.142 -0.293 -8.392
12 HH11 ARG 1 HH11 ARG 1 -9.030 -0.020 -10.916
13 HH12 ARG 1 HH12 ARG 1 -8.750 -0.040 -9.206
14 HH21 ARG 1 HH21 ARG 1 -11.186 -0.147 -11.731
15 HH22 ARG 1 HH22 ARG 1 -12.523 -0.260 -10.633
16 HA PRO 2 HA PRO 2 -10.913 -0.960 -0.855
17 HB2 PRO 2 HB2 PRO 2 -10.126 -3.761 -0.993
18 HB3 PRO 2 HB1 PRO 2 -11.057 -2.934 0.254
19 HG2 PRO 2 HG2 PRO 2 -12.147 -4.766 -1.419
20 HG3 PRO 2 HG1 PRO 2 -13.067 -3.410 -0.743
21 HD2 PRO 2 HD2 PRO 2 -11.867 -3.715 -3.472
22 HD3 PRO 2 HD1 PRO 2 -13.429 -3.016 -2.993
23 H PHE 3 HN PHE 3 -8.837 -0.338 -0.755
24 HA PHE 3 HA PHE 3 -7.175 -0.834 -3.085
25 HB2 PHE 3 HB2 PHE 3 -6.727 0.983 -0.704
26 HB3 PHE 3 HB1 PHE 3 -5.742 0.937 -2.162
27 HD1 PHE 3 HD1 PHE 3 -6.723 1.641 -4.333
28 HD2 PHE 3 HD2 PHE 3 -8.754 2.178 -0.639
29 HE1 PHE 3 HE1 PHE 3 -8.179 3.315 -5.389
30 HE2 PHE 3 HE2 PHE 3 -10.223 3.849 -1.686
31 HZ PHE 3 HZ PHE 3 -10.005 4.338 -4.097
32 H NLE 4 HN NLE 4 -6.474 -2.898 -2.867
33 HA NLE 4 HA NLE 4 -5.239 -3.699 -0.337
34 HB2 NLE 4 HB1 NLE 4 -6.172 -5.320 -2.705
35 HB3 NLE 4 HB2 NLE 4 -6.983 -5.171 -1.157
36 HG2 NLE 4 HG1 NLE 4 -5.206 -6.365 -0.054
37 HG3 NLE 4 HG2 NLE 4 -4.272 -6.418 -1.552
38 HD2 NLE 4 HD1 NLE 4 -6.096 -7.738 -2.597
39 HD3 NLE 4 HD2 NLE 4 -6.935 -7.752 -1.039
40 HE1 NLE 4 HE1 NLE 4 -4.188 -8.874 -1.572
41 HE2 NLE 4 HE2 NLE 4 -5.669 -9.813 -1.385
42 HE3 NLE 4 HE3 NLE 4 -5.031 -8.893 -0.022
43 H CYS 5 HN CYS 5 -3.132 -3.661 -0.157
44 HA CYS 5 HA CYS 5 -1.348 -3.410 -2.355
45 HB2 CYS 5 HB2 CYS 5 -0.683 -2.538 -0.208
46 HB3 CYS 5 HB1 CYS 5 -0.880 -4.119 0.539
47 H THR 6 HN THR 6 -1.162 -4.996 -3.775
48 HA THR 6 HA THR 6 -1.485 -7.760 -2.939
49 HB THR 6 HB THR 6 -0.945 -6.818 -5.751
50 HG1 THR 6 HG1 THR 6 -2.976 -6.050 -4.200
51 HG21 THR 6 HG21 THR 6 -0.937 -9.243 -5.335
52 HG22 THR 6 HG22 THR 6 -2.307 -8.770 -6.339
53 HG23 THR 6 HG23 THR 6 -2.548 -9.127 -4.630
54 H TRP 7 HN TRP 7 0.869 -6.335 -2.057
55 HA TRP 7 HA TRP 7 3.108 -7.304 -3.548
56 HB2 TRP 7 HB2 TRP 7 3.109 -5.320 -1.943
57 HB3 TRP 7 HB1 TRP 7 3.095 -6.498 -0.643
58 HD1 TRP 7 HD1 TRP 7 5.341 -7.920 -0.248
59 HE1 TRP 7 HE1 TRP 7 7.781 -7.487 -0.952
60 HE3 TRP 7 HE3 TRP 7 4.522 -4.346 -3.795
61 HZ2 TRP 7 HZ2 TRP 7 9.167 -5.829 -2.772
62 HZ3 TRP 7 HZ3 TRP 7 6.458 -3.381 -4.972
63 HH2 TRP 7 HH2 TRP 7 8.730 -4.109 -4.471
64 H AIB 8 HN AIB 8 4.512 -8.975 -2.903
65 HB11 AIB 8 HB11 AIB 8 5.641 -12.239 -2.045
66 HB12 AIB 8 HB12 AIB 8 6.187 -10.577 -1.822
67 HB13 AIB 8 HB13 AIB 8 5.589 -11.106 -3.394
68 HB21 AIB 8 HB21 AIB 8 2.092 -11.425 -2.451
69 HB22 AIB 8 HB22 AIB 8 3.262 -12.741 -2.339
70 HB23 AIB 8 HB23 AIB 8 3.287 -11.653 -3.726
71 H GLY 9 HN GLY 9 2.160 -11.889 -0.634
72 HA2 GLY 9 HA2 GLY 9 1.871 -12.661 1.508
73 HA3 GLY 9 HA1 GLY 9 3.551 -12.276 1.830
74 H CYS 10 HN CYS 10 1.765 -9.623 0.609
75 HA CYS 10 HA CYS 10 1.829 -8.463 3.286
76 HB2 CYS 10 HB2 CYS 10 2.879 -7.319 1.288
77 HB3 CYS 10 HB1 CYS 10 1.247 -7.017 0.710
78 H GLY 11 HN GLY 11 -0.442 -7.935 0.563
79 HA2 GLY 11 HA2 GLY 11 -2.731 -7.939 0.506
80 HA3 GLY 11 HA1 GLY 11 -2.663 -9.128 1.794
81 H LYS 12 HN LYS 12 -1.414 -5.860 1.990
82 HA LYS 12 HA LYS 12 -3.066 -5.328 4.305
83 HB2 LYS 12 HB2 LYS 12 -0.577 -4.658 3.904
84 HB3 LYS 12 HB1 LYS 12 -1.251 -3.338 2.963
85 HG2 LYS 12 HG2 LYS 12 -0.802 -2.506 5.125
86 HG3 LYS 12 HG1 LYS 12 -2.552 -2.672 4.985
87 HD2 LYS 12 HD2 LYS 12 -2.568 -4.621 6.327
88 HD3 LYS 12 HD1 LYS 12 -0.816 -4.799 6.215
89 HE2 LYS 12 HE2 LYS 12 -1.531 -3.932 8.403
90 HE3 LYS 12 HE1 LYS 12 -0.493 -2.801 7.536
91 HZ1 LYS 12 HZ1 LYS 12 -3.451 -2.652 7.736
92 HZ2 LYS 12 HZ2 LYS 12 -2.481 -1.581 6.862
93 HZ3 LYS 12 HZ3 LYS 12 -2.346 -1.659 8.541
94 H ARG 13 HN ARG 13 -5.036 -4.409 4.155
95 HA ARG 13 HA ARG 13 -5.778 -3.230 1.575
96 HB2 ARG 13 HB2 ARG 13 -7.500 -4.299 3.813
97 HB3 ARG 13 HB1 ARG 13 -8.124 -3.566 2.342
98 HG2 ARG 13 HG2 ARG 13 -7.018 -5.325 1.025
99 HG3 ARG 13 HG1 ARG 13 -6.479 -6.078 2.525
100 HD2 ARG 13 HD2 ARG 13 -9.356 -5.580 1.777
101 HD3 ARG 13 HD1 ARG 13 -8.519 -7.118 1.585
102 HE ARG 13 HE ARG 13 -8.195 -6.474 4.227
103 HH11 ARG 13 HH11 ARG 13 -11.991 -7.457 3.339
104 HH12 ARG 13 HH12 ARG 13 -10.936 -6.878 2.090
105 HH21 ARG 13 HH21 ARG 13 -9.586 -7.249 5.885
106 HH22 ARG 13 HH22 ARG 13 -11.220 -7.679 5.491
107 H PHE 14 HN PHE 14 -6.621 -1.242 1.354
108 HA PHE 14 HA PHE 14 -6.899 0.433 3.752
109 HB2 PHE 14 HB2 PHE 14 -5.607 1.322 1.166
110 HB3 PHE 14 HB1 PHE 14 -5.748 2.251 2.653
111 HD1 PHE 14 HD1 PHE 14 -4.442 1.614 4.633
112 HD2 PHE 14 HD2 PHE 14 -3.888 -0.271 0.866
113 HE1 PHE 14 HE1 PHE 14 -2.280 0.731 5.395
114 HE2 PHE 14 HE2 PHE 14 -1.718 -1.147 1.618
115 HZ PHE 14 HZ PHE 14 -0.916 -0.647 3.888
116 H THR 15 HN THR 15 -8.334 2.237 3.487
117 HA THR 15 HA THR 15 -10.253 1.833 1.301
118 HB THR 15 HB THR 15 -11.154 1.623 3.598
119 HG1 THR 15 HG1 THR 15 -12.086 3.818 2.028
120 HG21 THR 15 HG21 THR 15 -10.399 4.535 3.825
121 HG22 THR 15 HG22 THR 15 -9.733 3.199 4.763
122 HG23 THR 15 HG23 THR 15 -11.422 3.662 4.962
123 H ARG 16 HN ARG 16 -7.626 3.518 1.655
124 HA ARG 16 HA ARG 16 -8.694 5.835 0.214
125 HB2 ARG 16 HB2 ARG 16 -6.573 5.948 2.369
126 HB3 ARG 16 HB1 ARG 16 -7.021 7.292 1.332
127 HG2 ARG 16 HG2 ARG 16 -9.358 7.059 2.274
128 HG3 ARG 16 HG1 ARG 16 -8.660 5.967 3.470
129 HD2 ARG 16 HD2 ARG 16 -7.889 8.846 3.002
130 HD3 ARG 16 HD1 ARG 16 -8.821 8.221 4.359
131 HE ARG 16 HE ARG 16 -6.505 6.819 4.497
132 HH11 ARG 16 HH11 ARG 16 -5.875 10.719 5.239
133 HH12 ARG 16 HH12 ARG 16 -7.275 10.225 4.344
134 HH21 ARG 16 HH21 ARG 16 -4.654 7.457 5.706
135 HH22 ARG 16 HH22 ARG 16 -4.397 9.151 6.021
136 H SER 17 HN SER 17 -7.572 6.368 -1.569
137 HA SER 17 HA SER 17 -5.821 4.473 -2.698
138 HB2 SER 17 HB2 SER 17 -6.099 7.310 -3.674
139 HB3 SER 17 HB1 SER 17 -5.861 5.840 -4.616
140 HG SER 17 HG SER 17 -7.933 5.594 -4.688
141 H ASP 18 HN ASP 18 -5.284 7.659 -1.279
142 HA ASP 18 HA ASP 18 -2.510 7.781 -1.904
143 HB2 ASP 18 HB2 ASP 18 -2.450 9.686 -0.360
144 HB3 ASP 18 HB1 ASP 18 -3.818 9.809 -1.460
145 H GLU 19 HN GLU 19 -4.366 6.456 0.703
146 HA GLU 19 HA GLU 19 -2.298 6.139 2.591
147 HB2 GLU 19 HB2 GLU 19 -4.782 5.907 3.010
148 HB3 GLU 19 HB1 GLU 19 -4.691 4.334 2.238
149 HG2 GLU 19 HG2 GLU 19 -4.634 4.014 4.584
150 HG3 GLU 19 HG1 GLU 19 -3.029 3.660 3.947
151 H LEU 20 HN LEU 20 -3.577 4.022 0.054
152 HA LEU 20 HA LEU 20 -1.807 1.873 0.470
153 HB2 LEU 20 HB2 LEU 20 -3.777 1.536 -0.836
154 HB3 LEU 20 HB1 LEU 20 -3.325 2.801 -1.960
155 HG LEU 20 HG LEU 20 -1.465 1.423 -2.780
156 HD11 LEU 20 HD11 LEU 20 -2.528 -0.664 -0.888
157 HD12 LEU 20 HD12 LEU 20 -0.981 0.172 -0.757
158 HD13 LEU 20 HD13 LEU 20 -1.282 -0.919 -2.108
159 HD21 LEU 20 HD21 LEU 20 -3.712 1.285 -3.816
160 HD22 LEU 20 HD22 LEU 20 -4.063 -0.106 -2.786
161 HD23 LEU 20 HD23 LEU 20 -2.772 -0.197 -3.982
162 H GLN 21 HN GLN 21 -1.587 4.719 -1.650
163 HA GLN 21 HA GLN 21 0.841 4.018 -2.883
164 HB2 GLN 21 HB2 GLN 21 -0.363 6.732 -2.330
165 HB3 GLN 21 HB1 GLN 21 1.067 6.484 -3.324
166 HG2 GLN 21 HG2 GLN 21 -1.594 5.208 -3.900
167 HG3 GLN 21 HG1 GLN 21 -1.086 6.754 -4.572
168 HE21 GLN 21 HE21 GLN 21 -1.228 5.928 -6.662
169 HE22 GLN 21 HE22 GLN 21 -0.035 4.852 -7.302
170 H ARG 22 HN ARG 22 0.192 5.958 0.004
171 HA ARG 22 HA ARG 22 2.828 6.517 0.733
172 HB2 ARG 22 HB2 ARG 22 0.922 7.599 1.788
173 HB3 ARG 22 HB1 ARG 22 0.391 6.065 2.458
174 HG2 ARG 22 HG2 ARG 22 2.458 5.972 3.801
175 HG3 ARG 22 HG1 ARG 22 2.900 7.563 3.176
176 HD2 ARG 22 HD2 ARG 22 0.883 8.521 4.137
177 HD3 ARG 22 HD1 ARG 22 0.391 6.933 4.725
178 HE ARG 22 HE ARG 22 2.898 7.416 5.784
179 HH11 ARG 22 HH11 ARG 22 -0.045 9.506 7.538
180 HH12 ARG 22 HH12 ARG 22 -0.276 8.877 5.940
181 HH21 ARG 22 HH21 ARG 22 1.945 9.143 8.647
182 HH22 ARG 22 HH22 ARG 22 3.210 8.238 7.875
183 H HIS 23 HN HIS 23 0.747 3.766 1.521
184 HA HIS 23 HA HIS 23 2.510 2.408 3.211
185 HB2 HIS 23 HB2 HIS 23 0.254 1.675 3.183
186 HB3 HIS 23 HB1 HIS 23 0.266 1.463 1.438
187 HD1 HIS 23 HD1 HIS 23 1.193 -0.315 4.631
188 HD2 HIS 23 HD2 HIS 23 1.429 -0.865 0.504
189 HE1 HIS 23 HE1 HIS 23 1.868 -2.745 4.253
190 H LYS 24 HN LYS 24 2.141 2.272 -0.317
191 HA LYS 24 HA LYS 24 3.832 0.147 -0.874
192 HB2 LYS 24 HB2 LYS 24 3.335 2.676 -2.435
193 HB3 LYS 24 HB1 LYS 24 4.315 1.356 -3.051
194 HG2 LYS 24 HG2 LYS 24 2.372 -0.141 -2.881
195 HG3 LYS 24 HG1 LYS 24 1.395 1.223 -2.329
196 HD2 LYS 24 HD2 LYS 24 1.889 2.402 -4.428
197 HD3 LYS 24 HD1 LYS 24 2.830 1.017 -4.974
198 HE2 LYS 24 HE2 LYS 24 -0.107 0.963 -4.299
199 HE3 LYS 24 HE1 LYS 24 0.556 1.066 -5.927
200 HZ1 LYS 24 HZ1 LYS 24 1.612 -1.076 -5.595
201 HZ2 LYS 24 HZ2 LYS 24 -0.058 -1.197 -5.357
202 HZ3 LYS 24 HZ3 LYS 24 0.987 -1.175 -4.029
203 H ARG 25 HN ARG 25 4.634 3.377 0.124
204 HA ARG 25 HA ARG 25 7.318 3.383 -0.777
205 HB2 ARG 25 HB2 ARG 25 5.996 4.988 1.408
206 HB3 ARG 25 HB1 ARG 25 7.585 5.323 0.729
207 HG2 ARG 25 HG2 ARG 25 6.518 5.603 -1.493
208 HG3 ARG 25 HG1 ARG 25 4.948 5.415 -0.715
209 HD2 ARG 25 HD2 ARG 25 5.402 7.374 0.675
210 HD3 ARG 25 HD1 ARG 25 6.974 7.561 -0.105
211 HE ARG 25 HE ARG 25 4.754 7.526 -1.938
212 HH11 ARG 25 HH11 ARG 25 6.415 10.996 -0.787
213 HH12 ARG 25 HH12 ARG 25 6.768 9.544 0.094
214 HH21 ARG 25 HH21 ARG 25 4.302 9.434 -3.105
215 HH22 ARG 25 HH22 ARG 25 5.013 10.935 -2.601
216 H THR 26 HN THR 26 5.876 1.635 1.718
217 HA THR 26 HA THR 26 8.257 1.472 3.346
218 HB THR 26 HB THR 26 7.095 -0.287 4.592
219 HG1 THR 26 HG1 THR 26 4.848 0.091 2.889
220 HG21 THR 26 HG21 THR 26 5.229 1.038 5.440
221 HG22 THR 26 HG22 THR 26 5.297 2.067 4.010
222 HG23 THR 26 HG23 THR 26 6.639 2.059 5.154
223 H HIS 27 HN HIS 27 6.888 -0.169 0.616
224 HA HIS 27 HA HIS 27 8.784 -2.372 0.796
225 HB2 HIS 27 HB2 HIS 27 6.787 -1.697 -1.381
226 HB3 HIS 27 HB1 HIS 27 7.774 -3.150 -1.326
227 HD1 HIS 27 HD1 HIS 27 7.226 -4.710 0.978
228 HD2 HIS 27 HD2 HIS 27 4.348 -2.021 -0.406
229 HE1 HIS 27 HE1 HIS 27 4.981 -5.480 1.925
230 H THR 28 HN THR 28 8.068 0.381 -1.330
231 HA THR 28 HA THR 28 10.817 0.842 -1.878
232 HB THR 28 HB THR 28 10.497 -1.100 -3.355
233 HG1 THR 28 HG1 THR 28 11.328 -0.095 -5.221
234 HG21 THR 28 HG21 THR 28 8.124 -0.880 -3.838
235 HG22 THR 28 HG22 THR 28 9.051 -0.915 -5.339
236 HG23 THR 28 HG23 THR 28 8.426 0.615 -4.724
237 H GLY 29 HN GLY 29 7.446 1.391 -2.787
238 HA2 GLY 29 HA2 GLY 29 6.541 3.602 -2.466
239 HA3 GLY 29 HA1 GLY 29 8.096 4.257 -2.953
240 H GLU 30 HN GLU 30 7.168 5.568 -4.477
241 HA GLU 30 HA GLU 30 5.443 4.621 -6.544
242 HB2 GLU 30 HB2 GLU 30 5.400 6.944 -5.768
243 HB3 GLU 30 HB1 GLU 30 7.066 7.163 -6.279
244 HG2 GLU 30 HG2 GLU 30 6.318 6.710 -8.617
245 HG3 GLU 30 HG1 GLU 30 4.657 6.737 -8.021
246 H LYS 31 HN LYS 31 8.881 5.258 -6.213
247 HA LYS 31 HA LYS 31 9.428 4.736 -8.995
248 HB2 LYS 31 HB2 LYS 31 11.390 4.950 -6.707
249 HB3 LYS 31 HB1 LYS 31 11.758 5.062 -8.420
250 HG2 LYS 31 HG2 LYS 31 10.100 7.012 -6.838
251 HG3 LYS 31 HG1 LYS 31 11.765 7.251 -7.369
252 HD2 LYS 31 HD2 LYS 31 10.985 7.035 -9.717
253 HD3 LYS 31 HD1 LYS 31 9.327 6.943 -9.119
254 HE2 LYS 31 HE2 LYS 31 11.233 9.252 -8.746
255 HE3 LYS 31 HE1 LYS 31 9.869 9.203 -9.858
256 HZ1 LYS 31 HZ1 LYS 31 8.360 9.072 -8.009
257 HZ2 LYS 31 HZ2 LYS 31 9.383 10.402 -7.793
258 HZ3 LYS 31 HZ3 LYS 31 9.645 8.989 -6.905
259 HN1 NH2 32 HN1 NH2 32 10.862 3.233 -6.126
260 HN2 NH2 32 HN2 NH2 32 10.791 1.608 -6.722
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 -13.564 2.975 -2.391
2 H2 ARG 1 HT2 ARG 1 -14.626 1.691 -2.114
3 H3 ARG 1 HT3 ARG 1 -14.706 2.556 -3.562
4 HA ARG 1 HA ARG 1 -13.635 0.440 -3.909
5 HB2 ARG 1 HB2 ARG 1 -11.785 2.823 -4.056
6 HB3 ARG 1 HB1 ARG 1 -11.474 1.280 -4.839
7 HG2 ARG 1 HG2 ARG 1 -13.414 1.543 -6.237
8 HG3 ARG 1 HG1 ARG 1 -13.863 3.025 -5.389
9 HD2 ARG 1 HD2 ARG 1 -12.769 3.516 -7.516
10 HD3 ARG 1 HD1 ARG 1 -11.820 4.097 -6.152
11 HE ARG 1 HE ARG 1 -11.061 1.475 -7.075
12 HH11 ARG 1 HH11 ARG 1 -9.009 4.759 -8.155
13 HH12 ARG 1 HH12 ARG 1 -10.562 4.923 -7.404
14 HH21 ARG 1 HH21 ARG 1 -8.109 2.670 -8.507
15 HH22 ARG 1 HH22 ARG 1 -8.989 1.252 -8.031
16 HA PRO 2 HA PRO 2 -11.161 -0.773 -0.316
17 HB2 PRO 2 HB2 PRO 2 -11.345 -3.453 -1.414
18 HB3 PRO 2 HB1 PRO 2 -12.006 -2.836 0.099
19 HG2 PRO 2 HG2 PRO 2 -13.554 -3.577 -2.012
20 HG3 PRO 2 HG1 PRO 2 -14.034 -2.334 -0.842
21 HD2 PRO 2 HD2 PRO 2 -12.894 -2.009 -3.593
22 HD3 PRO 2 HD1 PRO 2 -14.186 -1.090 -2.788
23 H PHE 3 HN PHE 3 -9.060 -0.361 -0.543
24 HA PHE 3 HA PHE 3 -7.660 -1.215 -2.964
25 HB2 PHE 3 HB2 PHE 3 -6.844 0.647 -0.722
26 HB3 PHE 3 HB1 PHE 3 -5.833 0.253 -2.105
27 HD1 PHE 3 HD1 PHE 3 -6.573 0.907 -4.386
28 HD2 PHE 3 HD2 PHE 3 -8.555 2.260 -0.875
29 HE1 PHE 3 HE1 PHE 3 -7.642 2.699 -5.687
30 HE2 PHE 3 HE2 PHE 3 -9.630 4.051 -2.167
31 HZ PHE 3 HZ PHE 3 -9.178 4.273 -4.579
32 H NLE 4 HN NLE 4 -5.937 -2.618 -2.941
33 HA NLE 4 HA NLE 4 -5.215 -3.806 -0.361
34 HB2 NLE 4 HB1 NLE 4 -6.034 -5.352 -2.822
35 HB3 NLE 4 HB2 NLE 4 -6.934 -5.254 -1.317
36 HG2 NLE 4 HG1 NLE 4 -5.224 -6.468 -0.149
37 HG3 NLE 4 HG2 NLE 4 -4.175 -6.435 -1.569
38 HD2 NLE 4 HD1 NLE 4 -5.846 -7.773 -2.802
39 HD3 NLE 4 HD2 NLE 4 -6.832 -7.853 -1.334
40 HE1 NLE 4 HE1 NLE 4 -4.996 -8.964 -0.166
41 HE2 NLE 4 HE2 NLE 4 -4.013 -8.886 -1.629
42 HE3 NLE 4 HE3 NLE 4 -5.477 -9.869 -1.601
43 H CYS 5 HN CYS 5 -3.104 -3.856 -0.138
44 HA CYS 5 HA CYS 5 -1.329 -3.414 -2.337
45 HB2 CYS 5 HB2 CYS 5 -0.683 -2.558 -0.190
46 HB3 CYS 5 HB1 CYS 5 -0.829 -4.150 0.542
47 H THR 6 HN THR 6 -1.248 -4.990 -3.816
48 HA THR 6 HA THR 6 -1.267 -7.776 -2.992
49 HB THR 6 HB THR 6 -0.984 -6.784 -5.827
50 HG1 THR 6 HG1 THR 6 -3.137 -6.552 -4.080
51 HG21 THR 6 HG21 THR 6 -0.735 -9.194 -5.440
52 HG22 THR 6 HG22 THR 6 -2.217 -8.849 -6.329
53 HG23 THR 6 HG23 THR 6 -2.289 -9.227 -4.609
54 H TRP 7 HN TRP 7 0.935 -6.586 -1.992
55 HA TRP 7 HA TRP 7 3.202 -7.185 -3.703
56 HB2 TRP 7 HB2 TRP 7 3.200 -5.271 -2.051
57 HB3 TRP 7 HB1 TRP 7 3.189 -6.467 -0.765
58 HD1 TRP 7 HD1 TRP 7 5.434 -7.950 -0.458
59 HE1 TRP 7 HE1 TRP 7 7.881 -7.437 -1.072
60 HE3 TRP 7 HE3 TRP 7 4.655 -4.107 -3.723
61 HZ2 TRP 7 HZ2 TRP 7 9.292 -5.626 -2.716
62 HZ3 TRP 7 HZ3 TRP 7 6.605 -3.028 -4.768
63 HH2 TRP 7 HH2 TRP 7 8.874 -3.772 -4.275
64 H AIB 8 HN AIB 8 4.641 -8.876 -3.301
65 HB11 AIB 8 HB11 AIB 8 6.472 -10.499 -2.520
66 HB12 AIB 8 HB12 AIB 8 5.631 -11.014 -3.983
67 HB13 AIB 8 HB13 AIB 8 5.894 -12.158 -2.667
68 HB21 AIB 8 HB21 AIB 8 3.342 -11.641 -3.925
69 HB22 AIB 8 HB22 AIB 8 2.330 -11.332 -2.516
70 HB23 AIB 8 HB23 AIB 8 3.490 -12.659 -2.494
71 H GLY 9 HN GLY 9 2.553 -11.458 -0.653
72 HA2 GLY 9 HA2 GLY 9 2.687 -12.351 1.503
73 HA3 GLY 9 HA1 GLY 9 4.367 -11.857 1.581
74 H CYS 10 HN CYS 10 1.613 -9.815 0.732
75 HA CYS 10 HA CYS 10 1.932 -8.463 3.317
76 HB2 CYS 10 HB2 CYS 10 3.039 -7.246 1.421
77 HB3 CYS 10 HB1 CYS 10 1.450 -7.047 0.702
78 H GLY 11 HN GLY 11 -0.231 -7.704 0.597
79 HA2 GLY 11 HA2 GLY 11 -2.503 -7.835 0.392
80 HA3 GLY 11 HA1 GLY 11 -2.455 -9.130 1.572
81 H LYS 12 HN LYS 12 -1.430 -5.786 2.097
82 HA LYS 12 HA LYS 12 -3.298 -5.552 4.288
83 HB2 LYS 12 HB2 LYS 12 -1.288 -3.596 3.159
84 HB3 LYS 12 HB1 LYS 12 -2.309 -3.263 4.550
85 HG2 LYS 12 HG2 LYS 12 -0.255 -5.456 4.360
86 HG3 LYS 12 HG1 LYS 12 -0.064 -3.922 5.208
87 HD2 LYS 12 HD2 LYS 12 -1.999 -4.534 6.641
88 HD3 LYS 12 HD1 LYS 12 -2.038 -6.110 5.848
89 HE2 LYS 12 HE2 LYS 12 -0.855 -6.247 7.968
90 HE3 LYS 12 HE1 LYS 12 0.240 -6.555 6.621
91 HZ1 LYS 12 HZ1 LYS 12 1.180 -5.086 8.337
92 HZ2 LYS 12 HZ2 LYS 12 -0.019 -3.941 8.002
93 HZ3 LYS 12 HZ3 LYS 12 1.113 -4.352 6.818
94 H ARG 13 HN ARG 13 -5.074 -4.201 4.381
95 HA ARG 13 HA ARG 13 -6.041 -3.332 1.739
96 HB2 ARG 13 HB2 ARG 13 -7.622 -4.185 4.172
97 HB3 ARG 13 HB1 ARG 13 -8.315 -3.654 2.645
98 HG2 ARG 13 HG2 ARG 13 -7.341 -5.562 1.508
99 HG3 ARG 13 HG1 ARG 13 -6.570 -6.082 3.010
100 HD2 ARG 13 HD2 ARG 13 -8.827 -6.255 4.035
101 HD3 ARG 13 HD1 ARG 13 -9.527 -5.895 2.458
102 HE ARG 13 HE ARG 13 -8.109 -8.002 1.804
103 HH11 ARG 13 HH11 ARG 13 -10.299 -9.169 4.967
104 HH12 ARG 13 HH12 ARG 13 -9.965 -7.485 4.729
105 HH21 ARG 13 HH21 ARG 13 -8.551 -10.220 2.115
106 HH22 ARG 13 HH22 ARG 13 -9.489 -10.728 3.483
107 H PHE 14 HN PHE 14 -6.812 -1.314 1.450
108 HA PHE 14 HA PHE 14 -6.929 0.500 3.763
109 HB2 PHE 14 HB2 PHE 14 -5.634 1.196 1.116
110 HB3 PHE 14 HB1 PHE 14 -5.707 2.204 2.554
111 HD1 PHE 14 HD1 PHE 14 -4.390 1.598 4.553
112 HD2 PHE 14 HD2 PHE 14 -3.973 -0.455 0.856
113 HE1 PHE 14 HE1 PHE 14 -2.235 0.680 5.310
114 HE2 PHE 14 HE2 PHE 14 -1.818 -1.370 1.600
115 HZ PHE 14 HZ PHE 14 -0.955 -0.810 3.850
116 H THR 15 HN THR 15 -8.333 2.306 3.458
117 HA THR 15 HA THR 15 -10.313 1.919 1.327
118 HB THR 15 HB THR 15 -10.536 3.791 3.690
119 HG1 THR 15 HG1 THR 15 -10.393 1.154 3.784
120 HG21 THR 15 HG21 THR 15 -12.938 3.578 3.299
121 HG22 THR 15 HG22 THR 15 -12.639 2.461 1.969
122 HG23 THR 15 HG23 THR 15 -12.127 4.144 1.839
123 H ARG 16 HN ARG 16 -7.607 3.712 2.024
124 HA ARG 16 HA ARG 16 -8.462 5.965 0.332
125 HB2 ARG 16 HB2 ARG 16 -6.143 5.857 2.257
126 HB3 ARG 16 HB1 ARG 16 -6.712 7.273 1.393
127 HG2 ARG 16 HG2 ARG 16 -8.668 7.401 2.706
128 HG3 ARG 16 HG1 ARG 16 -8.401 5.795 3.381
129 HD2 ARG 16 HD2 ARG 16 -6.378 6.605 4.503
130 HD3 ARG 16 HD1 ARG 16 -6.653 8.210 3.831
131 HE ARG 16 HE ARG 16 -8.910 7.902 5.125
132 HH11 ARG 16 HH11 ARG 16 -5.673 7.028 6.156
133 HH12 ARG 16 HH12 ARG 16 -6.022 7.242 7.840
134 HH21 ARG 16 HH21 ARG 16 -9.355 8.213 7.342
135 HH22 ARG 16 HH22 ARG 16 -8.115 7.916 8.515
136 H SER 17 HN SER 17 -7.436 6.253 -1.574
137 HA SER 17 HA SER 17 -5.643 4.258 -2.529
138 HB2 SER 17 HB2 SER 17 -5.499 5.850 -4.526
139 HB3 SER 17 HB1 SER 17 -7.104 5.238 -4.128
140 HG SER 17 HG SER 17 -7.689 7.229 -3.917
141 H ASP 18 HN ASP 18 -5.301 7.502 -1.273
142 HA ASP 18 HA ASP 18 -2.536 7.753 -1.939
143 HB2 ASP 18 HB2 ASP 18 -2.555 9.748 -0.555
144 HB3 ASP 18 HB1 ASP 18 -3.983 9.722 -1.580
145 H GLU 19 HN GLU 19 -4.327 6.441 0.731
146 HA GLU 19 HA GLU 19 -2.168 6.174 2.549
147 HB2 GLU 19 HB2 GLU 19 -4.563 5.963 3.193
148 HB3 GLU 19 HB1 GLU 19 -4.638 4.444 2.314
149 HG2 GLU 19 HG2 GLU 19 -4.380 3.830 4.534
150 HG3 GLU 19 HG1 GLU 19 -2.770 3.658 3.842
151 H LEU 20 HN LEU 20 -3.583 4.038 0.099
152 HA LEU 20 HA LEU 20 -1.830 1.876 0.404
153 HB2 LEU 20 HB2 LEU 20 -3.808 1.623 -0.913
154 HB3 LEU 20 HB1 LEU 20 -3.326 2.916 -1.994
155 HG LEU 20 HG LEU 20 -1.434 1.507 -2.778
156 HD11 LEU 20 HD11 LEU 20 -1.179 0.098 -0.810
157 HD12 LEU 20 HD12 LEU 20 -1.432 -0.877 -2.257
158 HD13 LEU 20 HD13 LEU 20 -2.755 -0.632 -1.118
159 HD21 LEU 20 HD21 LEU 20 -4.116 0.166 -3.066
160 HD22 LEU 20 HD22 LEU 20 -2.754 0.071 -4.181
161 HD23 LEU 20 HD23 LEU 20 -3.611 1.597 -3.962
162 H GLN 21 HN GLN 21 -1.603 4.741 -1.685
163 HA GLN 21 HA GLN 21 0.861 4.157 -2.873
164 HB2 GLN 21 HB2 GLN 21 -0.416 6.800 -2.168
165 HB3 GLN 21 HB1 GLN 21 1.083 6.679 -3.076
166 HG2 GLN 21 HG2 GLN 21 -0.039 5.492 -4.851
167 HG3 GLN 21 HG1 GLN 21 -1.540 5.475 -3.927
168 HE21 GLN 21 HE21 GLN 21 -2.753 7.335 -3.770
169 HE22 GLN 21 HE22 GLN 21 -2.477 8.720 -4.768
170 H ARG 22 HN ARG 22 0.142 5.997 0.062
171 HA ARG 22 HA ARG 22 2.727 6.585 0.890
172 HB2 ARG 22 HB2 ARG 22 0.712 7.543 1.903
173 HB3 ARG 22 HB1 ARG 22 0.274 5.971 2.547
174 HG2 ARG 22 HG2 ARG 22 2.354 6.014 3.904
175 HG3 ARG 22 HG1 ARG 22 2.627 7.666 3.341
176 HD2 ARG 22 HD2 ARG 22 0.190 6.705 4.841
177 HD3 ARG 22 HD1 ARG 22 1.534 7.602 5.543
178 HE ARG 22 HE ARG 22 0.834 9.326 3.717
179 HH11 ARG 22 HH11 ARG 22 -2.600 8.497 5.634
180 HH12 ARG 22 HH12 ARG 22 -1.359 7.286 5.538
181 HH21 ARG 22 HH21 ARG 22 -2.302 10.539 4.641
182 HH22 ARG 22 HH22 ARG 22 -0.825 10.893 3.802
183 H HIS 23 HN HIS 23 0.737 3.736 1.425
184 HA HIS 23 HA HIS 23 2.506 2.402 3.163
185 HB2 HIS 23 HB2 HIS 23 0.244 1.668 3.152
186 HB3 HIS 23 HB1 HIS 23 0.253 1.437 1.407
187 HD1 HIS 23 HD1 HIS 23 1.447 -0.216 4.606
188 HD2 HIS 23 HD2 HIS 23 1.250 -0.933 0.506
189 HE1 HIS 23 HE1 HIS 23 2.181 -2.627 4.249
190 H LYS 24 HN LYS 24 2.073 2.238 -0.363
191 HA LYS 24 HA LYS 24 3.826 0.141 -0.899
192 HB2 LYS 24 HB2 LYS 24 3.104 2.565 -2.539
193 HB3 LYS 24 HB1 LYS 24 4.159 1.300 -3.147
194 HG2 LYS 24 HG2 LYS 24 2.369 -0.332 -2.916
195 HG3 LYS 24 HG1 LYS 24 1.307 0.911 -2.248
196 HD2 LYS 24 HD2 LYS 24 1.440 2.164 -4.332
197 HD3 LYS 24 HD1 LYS 24 2.549 0.968 -4.998
198 HE2 LYS 24 HE2 LYS 24 -0.256 0.341 -4.093
199 HE3 LYS 24 HE1 LYS 24 0.171 0.748 -5.754
200 HZ1 LYS 24 HZ1 LYS 24 0.048 -1.642 -5.417
201 HZ2 LYS 24 HZ2 LYS 24 1.236 -1.561 -4.218
202 HZ3 LYS 24 HZ3 LYS 24 1.625 -1.177 -5.817
203 H ARG 25 HN ARG 25 4.503 3.428 -0.030
204 HA ARG 25 HA ARG 25 7.139 3.628 -0.972
205 HB2 ARG 25 HB2 ARG 25 5.904 4.939 1.452
206 HB3 ARG 25 HB1 ARG 25 7.394 5.441 0.667
207 HG2 ARG 25 HG2 ARG 25 6.112 5.925 -1.383
208 HG3 ARG 25 HG1 ARG 25 4.629 5.500 -0.527
209 HD2 ARG 25 HD2 ARG 25 4.829 7.874 -0.462
210 HD3 ARG 25 HD1 ARG 25 5.191 7.268 1.152
211 HE ARG 25 HE ARG 25 7.334 7.963 -0.745
212 HH11 ARG 25 HH11 ARG 25 7.075 9.270 3.044
213 HH12 ARG 25 HH12 ARG 25 5.817 8.274 2.397
214 HH21 ARG 25 HH21 ARG 25 8.986 9.287 0.105
215 HH22 ARG 25 HH22 ARG 25 8.879 9.853 1.742
216 H THR 26 HN THR 26 5.831 1.797 1.631
217 HA THR 26 HA THR 26 8.198 1.695 3.220
218 HB THR 26 HB THR 26 7.171 -0.204 4.380
219 HG1 THR 26 HG1 THR 26 4.898 0.036 2.697
220 HG21 THR 26 HG21 THR 26 5.213 2.027 3.836
221 HG22 THR 26 HG22 THR 26 6.507 2.050 5.034
222 HG23 THR 26 HG23 THR 26 5.161 0.923 5.211
223 H HIS 27 HN HIS 27 6.753 -0.485 0.813
224 HA HIS 27 HA HIS 27 8.782 -2.458 0.975
225 HB2 HIS 27 HB2 HIS 27 6.908 -1.828 -1.316
226 HB3 HIS 27 HB1 HIS 27 7.886 -3.284 -1.176
227 HD1 HIS 27 HD1 HIS 27 7.225 -4.811 1.088
228 HD2 HIS 27 HD2 HIS 27 4.436 -2.073 -0.378
229 HE1 HIS 27 HE1 HIS 27 4.951 -5.521 2.003
230 H THR 28 HN THR 28 8.306 0.405 -0.990
231 HA THR 28 HA THR 28 10.621 -0.104 -2.626
232 HB THR 28 HB THR 28 10.136 2.243 -3.465
233 HG1 THR 28 HG1 THR 28 7.610 2.072 -2.283
234 HG21 THR 28 HG21 THR 28 7.913 0.199 -3.569
235 HG22 THR 28 HG22 THR 28 9.316 0.264 -4.635
236 HG23 THR 28 HG23 THR 28 8.111 1.550 -4.684
237 H GLY 29 HN GLY 29 10.409 0.671 0.480
238 HA2 GLY 29 HA2 GLY 29 12.698 2.531 0.397
239 HA3 GLY 29 HA1 GLY 29 11.564 2.413 1.736
240 H GLU 30 HN GLU 30 12.148 -0.637 0.582
241 HA GLU 30 HA GLU 30 13.949 -1.215 2.806
242 HB2 GLU 30 HB2 GLU 30 12.513 -3.080 0.909
243 HB3 GLU 30 HB1 GLU 30 13.480 -3.581 2.284
244 HG2 GLU 30 HG2 GLU 30 11.902 -2.392 3.771
245 HG3 GLU 30 HG1 GLU 30 10.903 -2.035 2.361
246 H LYS 31 HN LYS 31 15.923 -2.331 2.529
247 HA LYS 31 HA LYS 31 17.019 -2.159 -0.200
248 HB2 LYS 31 HB2 LYS 31 18.026 -0.586 1.470
249 HB3 LYS 31 HB1 LYS 31 18.543 -1.978 2.408
250 HG2 LYS 31 HG2 LYS 31 19.906 -2.731 0.509
251 HG3 LYS 31 HG1 LYS 31 19.418 -1.293 -0.388
252 HD2 LYS 31 HD2 LYS 31 20.437 0.122 1.330
253 HD3 LYS 31 HD1 LYS 31 20.923 -1.318 2.229
254 HE2 LYS 31 HE2 LYS 31 22.283 -2.032 0.316
255 HE3 LYS 31 HE1 LYS 31 21.818 -0.572 -0.553
256 HZ1 LYS 31 HZ1 LYS 31 23.360 -0.683 1.980
257 HZ2 LYS 31 HZ2 LYS 31 22.878 0.737 1.201
258 HZ3 LYS 31 HZ3 LYS 31 23.976 -0.307 0.452
259 HN1 NH2 32 HN1 NH2 32 16.469 -4.233 -0.777
260 HN2 NH2 32 HN2 NH2 32 17.172 -5.642 -0.062
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 -15.534 1.763 -3.542
2 H2 ARG 1 HT2 ARG 1 -14.511 2.537 -2.444
3 H3 ARG 1 HT3 ARG 1 -15.127 1.006 -2.087
4 HA ARG 1 HA ARG 1 -13.916 0.060 -3.932
5 HB2 ARG 1 HB2 ARG 1 -13.163 2.926 -4.307
6 HB3 ARG 1 HB1 ARG 1 -12.005 1.678 -4.747
7 HG2 ARG 1 HG2 ARG 1 -14.818 1.850 -5.806
8 HG3 ARG 1 HG1 ARG 1 -13.384 2.453 -6.639
9 HD2 ARG 1 HD2 ARG 1 -13.941 -0.404 -5.854
10 HD3 ARG 1 HD1 ARG 1 -13.976 0.262 -7.483
11 HE ARG 1 HE ARG 1 -11.463 0.815 -6.694
12 HH11 ARG 1 HH11 ARG 1 -11.978 -3.166 -6.782
13 HH12 ARG 1 HH12 ARG 1 -13.355 -2.124 -6.634
14 HH21 ARG 1 HH21 ARG 1 -9.865 -2.271 -6.938
15 HH22 ARG 1 HH22 ARG 1 -9.643 -0.551 -6.894
16 HA PRO 2 HA PRO 2 -11.064 -0.329 -0.475
17 HB2 PRO 2 HB2 PRO 2 -10.617 -2.955 -0.741
18 HB3 PRO 2 HB1 PRO 2 -12.128 -2.346 -0.051
19 HG2 PRO 2 HG2 PRO 2 -11.577 -3.375 -2.801
20 HG3 PRO 2 HG1 PRO 2 -12.992 -3.643 -1.768
21 HD2 PRO 2 HD2 PRO 2 -12.874 -1.796 -3.822
22 HD3 PRO 2 HD1 PRO 2 -13.994 -1.706 -2.448
23 H PHE 3 HN PHE 3 -8.840 -0.428 -0.409
24 HA PHE 3 HA PHE 3 -7.489 -0.826 -2.993
25 HB2 PHE 3 HB2 PHE 3 -6.873 1.125 -0.770
26 HB3 PHE 3 HB1 PHE 3 -5.792 0.811 -2.122
27 HD1 PHE 3 HD1 PHE 3 -6.457 1.418 -4.407
28 HD2 PHE 3 HD2 PHE 3 -8.820 2.463 -1.029
29 HE1 PHE 3 HE1 PHE 3 -7.677 3.061 -5.774
30 HE2 PHE 3 HE2 PHE 3 -10.045 4.102 -2.387
31 HZ PHE 3 HZ PHE 3 -9.477 4.405 -4.765
32 H NLE 4 HN NLE 4 -6.552 -2.750 -2.915
33 HA NLE 4 HA NLE 4 -5.362 -3.632 -0.376
34 HB2 NLE 4 HB1 NLE 4 -6.257 -5.246 -2.769
35 HB3 NLE 4 HB2 NLE 4 -7.117 -5.098 -1.245
36 HG2 NLE 4 HG1 NLE 4 -5.304 -6.238 -0.090
37 HG3 NLE 4 HG2 NLE 4 -4.402 -6.353 -1.603
38 HD2 NLE 4 HD1 NLE 4 -6.203 -7.719 -2.566
39 HD3 NLE 4 HD2 NLE 4 -7.086 -7.619 -1.034
40 HE1 NLE 4 HE1 NLE 4 -4.351 -8.827 -1.424
41 HE2 NLE 4 HE2 NLE 4 -5.855 -9.720 -1.201
42 HE3 NLE 4 HE3 NLE 4 -5.223 -8.719 0.106
43 H CYS 5 HN CYS 5 -3.251 -3.769 -0.209
44 HA CYS 5 HA CYS 5 -1.525 -3.350 -2.462
45 HB2 CYS 5 HB2 CYS 5 -0.892 -2.431 -0.305
46 HB3 CYS 5 HB1 CYS 5 -0.934 -4.032 0.418
47 H THR 6 HN THR 6 -1.472 -4.973 -3.877
48 HA THR 6 HA THR 6 -1.469 -7.721 -2.969
49 HB THR 6 HB THR 6 -1.385 -8.149 -5.506
50 HG1 THR 6 HG1 THR 6 -0.782 -6.204 -6.339
51 HG21 THR 6 HG21 THR 6 -3.725 -6.654 -4.312
52 HG22 THR 6 HG22 THR 6 -3.423 -8.386 -4.172
53 HG23 THR 6 HG23 THR 6 -3.784 -7.679 -5.745
54 H TRP 7 HN TRP 7 0.856 -6.090 -2.343
55 HA TRP 7 HA TRP 7 3.028 -6.855 -3.999
56 HB2 TRP 7 HB2 TRP 7 3.112 -4.985 -2.340
57 HB3 TRP 7 HB1 TRP 7 3.078 -6.179 -1.053
58 HD1 TRP 7 HD1 TRP 7 5.311 -7.580 -0.614
59 HE1 TRP 7 HE1 TRP 7 7.755 -7.193 -1.320
60 HE3 TRP 7 HE3 TRP 7 4.551 -4.072 -4.240
61 HZ2 TRP 7 HZ2 TRP 7 9.172 -5.600 -3.171
62 HZ3 TRP 7 HZ3 TRP 7 6.502 -3.165 -5.434
63 HH2 TRP 7 HH2 TRP 7 8.761 -3.913 -4.909
64 H AIB 8 HN AIB 8 4.546 -8.485 -3.658
65 HB11 AIB 8 HB11 AIB 8 6.436 -10.024 -2.859
66 HB12 AIB 8 HB12 AIB 8 5.706 -10.521 -4.385
67 HB13 AIB 8 HB13 AIB 8 5.977 -11.707 -3.108
68 HB21 AIB 8 HB21 AIB 8 3.442 -11.217 -4.507
69 HB22 AIB 8 HB22 AIB 8 2.353 -11.091 -3.129
70 HB23 AIB 8 HB23 AIB 8 3.588 -12.350 -3.161
71 H GLY 9 HN GLY 9 2.509 -11.405 -1.288
72 HA2 GLY 9 HA2 GLY 9 2.534 -12.416 0.798
73 HA3 GLY 9 HA1 GLY 9 4.214 -11.947 0.980
74 H CYS 10 HN CYS 10 1.820 -9.546 0.123
75 HA CYS 10 HA CYS 10 2.124 -8.444 2.830
76 HB2 CYS 10 HB2 CYS 10 2.956 -7.090 0.887
77 HB3 CYS 10 HB1 CYS 10 1.287 -6.953 0.353
78 H GLY 11 HN GLY 11 -0.367 -7.642 0.414
79 HA2 GLY 11 HA2 GLY 11 -2.649 -7.904 0.487
80 HA3 GLY 11 HA1 GLY 11 -2.427 -9.103 1.748
81 H LYS 12 HN LYS 12 -1.285 -5.789 1.935
82 HA LYS 12 HA LYS 12 -2.881 -5.317 4.304
83 HB2 LYS 12 HB2 LYS 12 -0.421 -4.499 3.666
84 HB3 LYS 12 HB1 LYS 12 -1.311 -3.152 2.975
85 HG2 LYS 12 HG2 LYS 12 -0.721 -2.462 5.128
86 HG3 LYS 12 HG1 LYS 12 -2.422 -2.915 5.245
87 HD2 LYS 12 HD2 LYS 12 -1.862 -5.011 6.257
88 HD3 LYS 12 HD1 LYS 12 -0.145 -4.761 5.943
89 HE2 LYS 12 HE2 LYS 12 -0.602 -4.318 8.265
90 HE3 LYS 12 HE1 LYS 12 -0.188 -2.810 7.453
91 HZ1 LYS 12 HZ1 LYS 12 -2.958 -3.707 8.031
92 HZ2 LYS 12 HZ2 LYS 12 -2.497 -2.212 7.383
93 HZ3 LYS 12 HZ3 LYS 12 -2.087 -2.608 8.972
94 H ARG 13 HN ARG 13 -4.836 -4.309 4.296
95 HA ARG 13 HA ARG 13 -5.734 -3.236 1.708
96 HB2 ARG 13 HB2 ARG 13 -7.351 -4.420 3.968
97 HB3 ARG 13 HB1 ARG 13 -8.030 -3.746 2.494
98 HG2 ARG 13 HG2 ARG 13 -6.800 -5.440 1.191
99 HG3 ARG 13 HG1 ARG 13 -6.226 -6.144 2.703
100 HD2 ARG 13 HD2 ARG 13 -8.522 -6.589 3.379
101 HD3 ARG 13 HD1 ARG 13 -9.112 -5.841 1.898
102 HE ARG 13 HE ARG 13 -7.386 -8.227 1.810
103 HH11 ARG 13 HH11 ARG 13 -10.934 -7.849 -0.049
104 HH12 ARG 13 HH12 ARG 13 -10.377 -6.584 0.999
105 HH21 ARG 13 HH21 ARG 13 -8.121 -9.891 0.425
106 HH22 ARG 13 HH22 ARG 13 -9.653 -9.732 -0.371
107 H PHE 14 HN PHE 14 -6.685 -1.293 1.530
108 HA PHE 14 HA PHE 14 -6.994 0.378 3.932
109 HB2 PHE 14 HB2 PHE 14 -5.714 1.299 1.345
110 HB3 PHE 14 HB1 PHE 14 -5.859 2.215 2.841
111 HD1 PHE 14 HD1 PHE 14 -4.512 1.597 4.803
112 HD2 PHE 14 HD2 PHE 14 -3.975 -0.259 1.018
113 HE1 PHE 14 HE1 PHE 14 -2.315 0.768 5.528
114 HE2 PHE 14 HE2 PHE 14 -1.776 -1.088 1.732
115 HZ PHE 14 HZ PHE 14 -0.963 -0.606 4.008
116 H THR 15 HN THR 15 -8.215 2.460 3.317
117 HA THR 15 HA THR 15 -10.295 1.827 1.328
118 HB THR 15 HB THR 15 -10.448 3.877 3.548
119 HG1 THR 15 HG1 THR 15 -10.350 1.334 3.917
120 HG21 THR 15 HG21 THR 15 -12.862 3.753 3.158
121 HG22 THR 15 HG22 THR 15 -12.602 2.576 1.871
122 HG23 THR 15 HG23 THR 15 -12.012 4.228 1.687
123 H ARG 16 HN ARG 16 -7.585 3.724 1.845
124 HA ARG 16 HA ARG 16 -8.526 5.770 -0.045
125 HB2 ARG 16 HB2 ARG 16 -6.576 6.067 2.245
126 HB3 ARG 16 HB1 ARG 16 -6.924 7.322 1.064
127 HG2 ARG 16 HG2 ARG 16 -9.248 7.380 1.796
128 HG3 ARG 16 HG1 ARG 16 -8.919 6.099 2.961
129 HD2 ARG 16 HD2 ARG 16 -7.634 8.827 2.939
130 HD3 ARG 16 HD1 ARG 16 -8.932 8.311 4.014
131 HE ARG 16 HE ARG 16 -6.954 6.480 4.427
132 HH11 ARG 16 HH11 ARG 16 -7.145 9.970 4.573
133 HH12 ARG 16 HH12 ARG 16 -5.941 10.113 5.814
134 HH21 ARG 16 HH21 ARG 16 -5.346 6.657 6.052
135 HH22 ARG 16 HH22 ARG 16 -4.917 8.237 6.646
136 H SER 17 HN SER 17 -7.366 6.105 -1.819
137 HA SER 17 HA SER 17 -5.435 4.207 -2.625
138 HB2 SER 17 HB2 SER 17 -5.223 5.780 -4.625
139 HB3 SER 17 HB1 SER 17 -6.837 5.148 -4.305
140 HG SER 17 HG SER 17 -6.046 7.690 -4.419
141 H ASP 18 HN ASP 18 -5.253 7.487 -1.425
142 HA ASP 18 HA ASP 18 -2.481 7.880 -1.900
143 HB2 ASP 18 HB2 ASP 18 -3.951 9.778 -1.488
144 HB3 ASP 18 HB1 ASP 18 -4.322 9.176 0.121
145 H GLU 19 HN GLU 19 -4.334 6.498 0.706
146 HA GLU 19 HA GLU 19 -2.206 6.241 2.559
147 HB2 GLU 19 HB2 GLU 19 -4.605 6.146 3.191
148 HB3 GLU 19 HB1 GLU 19 -4.745 4.612 2.346
149 HG2 GLU 19 HG2 GLU 19 -3.291 3.543 3.884
150 HG3 GLU 19 HG1 GLU 19 -2.867 5.079 4.640
151 H LEU 20 HN LEU 20 -3.657 4.056 0.171
152 HA LEU 20 HA LEU 20 -1.941 1.875 0.546
153 HB2 LEU 20 HB2 LEU 20 -3.904 1.614 -0.795
154 HB3 LEU 20 HB1 LEU 20 -3.397 2.881 -1.893
155 HG LEU 20 HG LEU 20 -1.518 1.445 -2.645
156 HD11 LEU 20 HD11 LEU 20 -2.838 -0.655 -0.935
157 HD12 LEU 20 HD12 LEU 20 -1.269 0.095 -0.636
158 HD13 LEU 20 HD13 LEU 20 -1.507 -0.917 -2.061
159 HD21 LEU 20 HD21 LEU 20 -4.171 0.042 -2.906
160 HD22 LEU 20 HD22 LEU 20 -2.820 0.013 -4.038
161 HD23 LEU 20 HD23 LEU 20 -3.737 1.500 -3.799
162 H GLN 21 HN GLN 21 -1.631 4.713 -1.567
163 HA GLN 21 HA GLN 21 0.780 3.999 -2.797
164 HB2 GLN 21 HB2 GLN 21 -0.660 5.877 -3.525
165 HB3 GLN 21 HB1 GLN 21 -0.189 6.777 -2.091
166 HG2 GLN 21 HG2 GLN 21 1.092 7.587 -3.916
167 HG3 GLN 21 HG1 GLN 21 2.169 6.660 -2.874
168 HE21 GLN 21 HE21 GLN 21 0.517 6.763 -5.923
169 HE22 GLN 21 HE22 GLN 21 1.410 5.492 -6.679
170 H ARG 22 HN ARG 22 0.215 6.019 0.066
171 HA ARG 22 HA ARG 22 2.821 6.528 0.829
172 HB2 ARG 22 HB2 ARG 22 0.841 7.526 1.893
173 HB3 ARG 22 HB1 ARG 22 0.438 5.975 2.606
174 HG2 ARG 22 HG2 ARG 22 2.539 6.038 3.881
175 HG3 ARG 22 HG1 ARG 22 2.877 7.633 3.204
176 HD2 ARG 22 HD2 ARG 22 1.913 7.915 5.384
177 HD3 ARG 22 HD1 ARG 22 0.740 8.438 4.177
178 HE ARG 22 HE ARG 22 0.336 5.713 4.877
179 HH11 ARG 22 HH11 ARG 22 -1.539 8.549 7.017
180 HH12 ARG 22 HH12 ARG 22 -0.200 8.984 6.006
181 HH21 ARG 22 HH21 ARG 22 -2.243 6.355 7.120
182 HH22 ARG 22 HH22 ARG 22 -1.424 5.136 6.194
183 H HIS 23 HN HIS 23 0.738 3.831 1.785
184 HA HIS 23 HA HIS 23 2.543 2.408 3.333
185 HB2 HIS 23 HB2 HIS 23 0.294 1.694 3.411
186 HB3 HIS 23 HB1 HIS 23 0.182 1.573 1.660
187 HD1 HIS 23 HD1 HIS 23 1.194 -0.413 4.688
188 HD2 HIS 23 HD2 HIS 23 1.296 -0.710 0.532
189 HE1 HIS 23 HE1 HIS 23 1.863 -2.813 4.140
190 H LYS 24 HN LYS 24 1.961 2.184 -0.176
191 HA LYS 24 HA LYS 24 3.689 0.023 -0.635
192 HB2 LYS 24 HB2 LYS 24 2.796 2.226 -2.489
193 HB3 LYS 24 HB1 LYS 24 3.753 0.848 -3.015
194 HG2 LYS 24 HG2 LYS 24 1.903 -0.620 -2.120
195 HG3 LYS 24 HG1 LYS 24 0.946 0.852 -1.948
196 HD2 LYS 24 HD2 LYS 24 2.182 -0.140 -4.512
197 HD3 LYS 24 HD1 LYS 24 0.489 -0.323 -4.057
198 HE2 LYS 24 HE2 LYS 24 0.206 2.086 -4.036
199 HE3 LYS 24 HE1 LYS 24 1.918 2.312 -4.396
200 HZ1 LYS 24 HZ1 LYS 24 0.516 2.533 -6.367
201 HZ2 LYS 24 HZ2 LYS 24 -0.029 0.945 -6.171
202 HZ3 LYS 24 HZ3 LYS 24 1.599 1.245 -6.517
203 H ARG 25 HN ARG 25 4.353 3.383 -0.131
204 HA ARG 25 HA ARG 25 6.951 3.321 -1.317
205 HB2 ARG 25 HB2 ARG 25 5.665 5.250 0.613
206 HB3 ARG 25 HB1 ARG 25 7.260 5.490 -0.095
207 HG2 ARG 25 HG2 ARG 25 6.278 5.486 -2.326
208 HG3 ARG 25 HG1 ARG 25 4.682 5.222 -1.626
209 HD2 ARG 25 HD2 ARG 25 4.792 7.353 -0.489
210 HD3 ARG 25 HD1 ARG 25 6.434 7.612 -1.075
211 HE ARG 25 HE ARG 25 5.165 7.349 -3.375
212 HH11 ARG 25 HH11 ARG 25 3.319 10.335 -1.419
213 HH12 ARG 25 HH12 ARG 25 4.196 9.141 -0.522
214 HH21 ARG 25 HH21 ARG 25 4.018 8.910 -4.555
215 HH22 ARG 25 HH22 ARG 25 3.219 10.206 -3.723
216 H THR 26 HN THR 26 5.848 1.729 1.338
217 HA THR 26 HA THR 26 8.381 1.866 2.765
218 HB THR 26 HB THR 26 7.461 0.207 4.292
219 HG1 THR 26 HG1 THR 26 5.050 0.245 2.779
220 HG21 THR 26 HG21 THR 26 5.443 2.368 3.672
221 HG22 THR 26 HG22 THR 26 6.879 2.554 4.679
222 HG23 THR 26 HG23 THR 26 5.575 1.482 5.192
223 H HIS 27 HN HIS 27 6.789 -0.016 0.334
224 HA HIS 27 HA HIS 27 8.701 -2.193 0.450
225 HB2 HIS 27 HB2 HIS 27 6.620 -1.533 -1.656
226 HB3 HIS 27 HB1 HIS 27 7.605 -2.988 -1.631
227 HD1 HIS 27 HD1 HIS 27 7.165 -4.446 0.803
228 HD2 HIS 27 HD2 HIS 27 4.197 -1.940 -0.716
229 HE1 HIS 27 HE1 HIS 27 4.951 -5.236 1.806
230 H THR 28 HN THR 28 7.848 0.418 -1.806
231 HA THR 28 HA THR 28 10.282 -0.062 -3.312
232 HB THR 28 HB THR 28 9.364 1.742 -4.818
233 HG1 THR 28 HG1 THR 28 7.987 2.668 -3.138
234 HG21 THR 28 HG21 THR 28 7.568 -0.629 -4.293
235 HG22 THR 28 HG22 THR 28 9.022 -0.637 -5.292
236 HG23 THR 28 HG23 THR 28 7.622 0.317 -5.780
237 H GLY 29 HN GLY 29 12.102 0.870 -2.628
238 HA2 GLY 29 HA2 GLY 29 12.054 3.350 -1.122
239 HA3 GLY 29 HA1 GLY 29 13.478 2.410 -1.549
240 H GLU 30 HN GLU 30 11.266 4.884 -2.558
241 HA GLU 30 HA GLU 30 12.176 5.145 -5.230
242 HB2 GLU 30 HB2 GLU 30 10.811 7.240 -3.535
243 HB3 GLU 30 HB1 GLU 30 10.875 7.179 -5.289
244 HG2 GLU 30 HG2 GLU 30 9.555 5.121 -5.261
245 HG3 GLU 30 HG1 GLU 30 9.468 5.210 -3.503
246 H LYS 31 HN LYS 31 13.113 7.185 -6.076
247 HA LYS 31 HA LYS 31 14.848 8.609 -6.313
248 HB2 LYS 31 HB2 LYS 31 13.637 9.829 -4.510
249 HB3 LYS 31 HB1 LYS 31 14.631 8.994 -3.324
250 HG2 LYS 31 HG2 LYS 31 16.620 10.041 -4.173
251 HG3 LYS 31 HG1 LYS 31 15.709 10.779 -5.491
252 HD2 LYS 31 HD2 LYS 31 14.398 12.051 -3.843
253 HD3 LYS 31 HD1 LYS 31 15.357 11.336 -2.547
254 HE2 LYS 31 HE2 LYS 31 17.358 12.374 -3.384
255 HE3 LYS 31 HE1 LYS 31 16.502 12.976 -4.802
256 HZ1 LYS 31 HZ1 LYS 31 16.806 14.691 -3.123
257 HZ2 LYS 31 HZ2 LYS 31 15.941 13.768 -1.997
258 HZ3 LYS 31 HZ3 LYS 31 15.165 14.372 -3.374
259 HN1 NH2 32 HN1 NH2 32 16.174 6.897 -6.921
260 HN2 NH2 32 HN2 NH2 32 17.478 6.360 -5.920
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 -13.147 3.538 -2.617
2 H2 ARG 1 HT2 ARG 1 -14.422 2.509 -2.203
3 H3 ARG 1 HT3 ARG 1 -14.476 3.374 -3.651
4 HA ARG 1 HA ARG 1 -13.929 1.068 -4.035
5 HB2 ARG 1 HB2 ARG 1 -11.626 2.972 -4.508
6 HB3 ARG 1 HB1 ARG 1 -11.839 1.427 -5.317
7 HG2 ARG 1 HG2 ARG 1 -13.984 2.271 -6.241
8 HG3 ARG 1 HG1 ARG 1 -13.613 3.845 -5.538
9 HD2 ARG 1 HD2 ARG 1 -11.863 2.390 -7.508
10 HD3 ARG 1 HD1 ARG 1 -13.007 3.656 -7.936
11 HE ARG 1 HE ARG 1 -11.490 4.901 -6.117
12 HH11 ARG 1 HH11 ARG 1 -9.147 3.750 -9.173
13 HH12 ARG 1 HH12 ARG 1 -10.612 2.886 -8.836
14 HH21 ARG 1 HH21 ARG 1 -8.542 5.553 -7.887
15 HH22 ARG 1 HH22 ARG 1 -9.556 6.068 -6.575
16 HA PRO 2 HA PRO 2 -11.396 -0.715 -0.777
17 HB2 PRO 2 HB2 PRO 2 -11.527 -3.202 -2.286
18 HB3 PRO 2 HB1 PRO 2 -12.211 -2.827 -0.705
19 HG2 PRO 2 HG2 PRO 2 -13.733 -3.224 -2.916
20 HG3 PRO 2 HG1 PRO 2 -14.217 -2.157 -1.585
21 HD2 PRO 2 HD2 PRO 2 -13.051 -1.455 -4.252
22 HD3 PRO 2 HD1 PRO 2 -14.329 -0.642 -3.325
23 H PHE 3 HN PHE 3 -9.257 -0.510 -0.714
24 HA PHE 3 HA PHE 3 -7.693 -1.121 -3.132
25 HB2 PHE 3 HB2 PHE 3 -7.038 0.669 -0.780
26 HB3 PHE 3 HB1 PHE 3 -5.949 0.337 -2.118
27 HD1 PHE 3 HD1 PHE 3 -6.666 1.009 -4.443
28 HD2 PHE 3 HD2 PHE 3 -8.645 2.353 -0.928
29 HE1 PHE 3 HE1 PHE 3 -7.665 2.858 -5.720
30 HE2 PHE 3 HE2 PHE 3 -9.649 4.205 -2.196
31 HZ PHE 3 HZ PHE 3 -9.162 4.460 -4.596
32 H NLE 4 HN NLE 4 -5.820 -2.387 -2.955
33 HA NLE 4 HA NLE 4 -5.247 -3.637 -0.391
34 HB2 NLE 4 HB1 NLE 4 -6.042 -5.235 -2.829
35 HB3 NLE 4 HB2 NLE 4 -7.002 -5.051 -1.370
36 HG2 NLE 4 HG1 NLE 4 -5.300 -6.223 -0.082
37 HG3 NLE 4 HG2 NLE 4 -4.301 -6.376 -1.529
38 HD2 NLE 4 HD1 NLE 4 -6.064 -7.707 -2.602
39 HD3 NLE 4 HD2 NLE 4 -7.045 -7.575 -1.133
40 HE1 NLE 4 HE1 NLE 4 -4.316 -8.843 -1.328
41 HE2 NLE 4 HE2 NLE 4 -5.849 -9.703 -1.204
42 HE3 NLE 4 HE3 NLE 4 -5.288 -8.706 0.138
43 H CYS 5 HN CYS 5 -3.148 -3.936 -0.144
44 HA CYS 5 HA CYS 5 -1.340 -3.442 -2.341
45 HB2 CYS 5 HB2 CYS 5 -0.771 -2.508 -0.189
46 HB3 CYS 5 HB1 CYS 5 -0.872 -4.094 0.567
47 H THR 6 HN THR 6 -1.066 -5.048 -3.750
48 HA THR 6 HA THR 6 -1.207 -7.808 -2.870
49 HB THR 6 HB THR 6 -0.893 -8.234 -5.382
50 HG1 THR 6 HG1 THR 6 -0.108 -6.272 -6.071
51 HG21 THR 6 HG21 THR 6 -3.233 -7.694 -5.867
52 HG22 THR 6 HG22 THR 6 -3.293 -6.650 -4.447
53 HG23 THR 6 HG23 THR 6 -3.064 -8.389 -4.256
54 H TRP 7 HN TRP 7 1.078 -6.203 -2.027
55 HA TRP 7 HA TRP 7 3.377 -7.070 -3.476
56 HB2 TRP 7 HB2 TRP 7 3.273 -5.086 -1.895
57 HB3 TRP 7 HB1 TRP 7 3.255 -6.241 -0.574
58 HD1 TRP 7 HD1 TRP 7 5.535 -7.579 -0.083
59 HE1 TRP 7 HE1 TRP 7 7.978 -7.068 -0.711
60 HE3 TRP 7 HE3 TRP 7 4.723 -4.080 -3.703
61 HZ2 TRP 7 HZ2 TRP 7 9.375 -5.402 -2.507
62 HZ3 TRP 7 HZ3 TRP 7 6.665 -3.069 -4.829
63 HH2 TRP 7 HH2 TRP 7 8.938 -3.715 -4.242
64 H AIB 8 HN AIB 8 4.848 -8.694 -2.872
65 HB11 AIB 8 HB11 AIB 8 6.167 -11.870 -1.892
66 HB12 AIB 8 HB12 AIB 8 6.614 -10.168 -1.769
67 HB13 AIB 8 HB13 AIB 8 6.045 -10.821 -3.304
68 HB21 AIB 8 HB21 AIB 8 2.573 -11.253 -2.375
69 HB22 AIB 8 HB22 AIB 8 3.806 -12.504 -2.226
70 HB23 AIB 8 HB23 AIB 8 3.789 -11.446 -3.635
71 H GLY 9 HN GLY 9 2.591 -11.580 -0.535
72 HA2 GLY 9 HA2 GLY 9 2.329 -12.350 1.615
73 HA3 GLY 9 HA1 GLY 9 4.007 -11.949 1.928
74 H CYS 10 HN CYS 10 1.774 -9.531 0.723
75 HA CYS 10 HA CYS 10 1.892 -8.275 3.378
76 HB2 CYS 10 HB2 CYS 10 2.925 -7.094 1.377
77 HB3 CYS 10 HB1 CYS 10 1.284 -6.866 0.790
78 H GLY 11 HN GLY 11 -0.333 -7.649 0.657
79 HA2 GLY 11 HA2 GLY 11 -2.608 -7.855 0.500
80 HA3 GLY 11 HA1 GLY 11 -2.511 -9.075 1.758
81 H LYS 12 HN LYS 12 -1.358 -5.822 2.282
82 HA LYS 12 HA LYS 12 -3.293 -5.438 4.381
83 HB2 LYS 12 HB2 LYS 12 -0.927 -4.654 4.573
84 HB3 LYS 12 HB1 LYS 12 -1.252 -3.476 3.307
85 HG2 LYS 12 HG2 LYS 12 -2.817 -2.323 4.676
86 HG3 LYS 12 HG1 LYS 12 -2.765 -3.591 5.900
87 HD2 LYS 12 HD2 LYS 12 -0.484 -3.059 6.431
88 HD3 LYS 12 HD1 LYS 12 -0.402 -1.905 5.102
89 HE2 LYS 12 HE2 LYS 12 -0.685 -0.738 7.202
90 HE3 LYS 12 HE1 LYS 12 -2.119 -0.539 6.199
91 HZ1 LYS 12 HZ1 LYS 12 -3.212 -2.261 7.493
92 HZ2 LYS 12 HZ2 LYS 12 -2.708 -0.994 8.485
93 HZ3 LYS 12 HZ3 LYS 12 -1.837 -2.440 8.459
94 H ARG 13 HN ARG 13 -5.126 -4.300 4.284
95 HA ARG 13 HA ARG 13 -5.879 -3.309 1.625
96 HB2 ARG 13 HB2 ARG 13 -7.552 -4.353 3.912
97 HB3 ARG 13 HB1 ARG 13 -8.221 -3.668 2.437
98 HG2 ARG 13 HG2 ARG 13 -7.450 -5.435 1.124
99 HG3 ARG 13 HG1 ARG 13 -6.312 -5.974 2.361
100 HD2 ARG 13 HD2 ARG 13 -9.313 -6.050 2.645
101 HD3 ARG 13 HD1 ARG 13 -8.321 -7.425 2.153
102 HE ARG 13 HE ARG 13 -7.167 -6.694 4.469
103 HH11 ARG 13 HH11 ARG 13 -10.938 -7.836 5.223
104 HH12 ARG 13 HH12 ARG 13 -10.513 -7.294 3.633
105 HH21 ARG 13 HH21 ARG 13 -7.725 -7.397 6.549
106 HH22 ARG 13 HH22 ARG 13 -9.351 -7.896 6.886
107 H PHE 14 HN PHE 14 -6.901 -1.372 1.344
108 HA PHE 14 HA PHE 14 -7.019 0.459 3.644
109 HB2 PHE 14 HB2 PHE 14 -5.867 1.152 0.928
110 HB3 PHE 14 HB1 PHE 14 -6.009 2.234 2.304
111 HD1 PHE 14 HD1 PHE 14 -4.467 2.159 4.106
112 HD2 PHE 14 HD2 PHE 14 -4.221 -0.648 0.921
113 HE1 PHE 14 HE1 PHE 14 -2.233 1.490 4.870
114 HE2 PHE 14 HE2 PHE 14 -1.982 -1.321 1.682
115 HZ PHE 14 HZ PHE 14 -0.991 -0.250 3.657
116 H THR 15 HN THR 15 -8.420 2.291 3.301
117 HA THR 15 HA THR 15 -10.432 1.880 1.203
118 HB THR 15 HB THR 15 -11.611 3.726 2.683
119 HG1 THR 15 HG1 THR 15 -10.465 4.151 4.412
120 HG21 THR 15 HG21 THR 15 -12.513 1.498 2.328
121 HG22 THR 15 HG22 THR 15 -12.649 1.934 4.031
122 HG23 THR 15 HG23 THR 15 -11.382 0.829 3.500
123 H ARG 16 HN ARG 16 -7.731 3.636 1.921
124 HA ARG 16 HA ARG 16 -8.532 5.828 0.140
125 HB2 ARG 16 HB2 ARG 16 -6.708 5.848 2.537
126 HB3 ARG 16 HB1 ARG 16 -6.734 7.147 1.353
127 HG2 ARG 16 HG2 ARG 16 -9.114 6.234 2.939
128 HG3 ARG 16 HG1 ARG 16 -8.095 7.615 3.350
129 HD2 ARG 16 HD2 ARG 16 -9.777 7.262 0.873
130 HD3 ARG 16 HD1 ARG 16 -10.053 8.401 2.189
131 HE ARG 16 HE ARG 16 -7.488 8.798 1.016
132 HH11 ARG 16 HH11 ARG 16 -10.901 9.382 0.484
133 HH12 ARG 16 HH12 ARG 16 -10.635 10.785 -0.499
134 HH21 ARG 16 HH21 ARG 16 -7.138 10.618 -0.284
135 HH22 ARG 16 HH22 ARG 16 -8.488 11.490 -0.939
136 H SER 17 HN SER 17 -7.400 6.078 -1.645
137 HA SER 17 HA SER 17 -5.438 4.197 -2.415
138 HB2 SER 17 HB2 SER 17 -5.203 5.799 -4.408
139 HB3 SER 17 HB1 SER 17 -6.791 5.077 -4.139
140 HG SER 17 HG SER 17 -6.189 7.640 -4.275
141 H ASP 18 HN ASP 18 -5.306 7.455 -1.149
142 HA ASP 18 HA ASP 18 -2.555 7.908 -1.649
143 HB2 ASP 18 HB2 ASP 18 -2.732 9.731 -0.029
144 HB3 ASP 18 HB1 ASP 18 -4.108 9.745 -1.122
145 H GLU 19 HN GLU 19 -4.323 6.444 1.010
146 HA GLU 19 HA GLU 19 -2.147 6.006 2.732
147 HB2 GLU 19 HB2 GLU 19 -4.788 4.622 2.376
148 HB3 GLU 19 HB1 GLU 19 -3.587 3.987 3.486
149 HG2 GLU 19 HG2 GLU 19 -4.732 6.759 3.599
150 HG3 GLU 19 HG1 GLU 19 -5.271 5.394 4.575
151 H LEU 20 HN LEU 20 -3.587 3.970 0.208
152 HA LEU 20 HA LEU 20 -1.829 1.808 0.422
153 HB2 LEU 20 HB2 LEU 20 -3.841 1.617 -0.873
154 HB3 LEU 20 HB1 LEU 20 -3.329 2.901 -1.950
155 HG LEU 20 HG LEU 20 -1.470 1.445 -2.739
156 HD11 LEU 20 HD11 LEU 20 -1.243 0.016 -0.801
157 HD12 LEU 20 HD12 LEU 20 -1.576 -0.953 -2.235
158 HD13 LEU 20 HD13 LEU 20 -2.857 -0.642 -1.066
159 HD21 LEU 20 HD21 LEU 20 -3.621 1.606 -3.948
160 HD22 LEU 20 HD22 LEU 20 -4.204 0.209 -3.043
161 HD23 LEU 20 HD23 LEU 20 -2.839 0.039 -4.144
162 H GLN 21 HN GLN 21 -1.589 4.738 -1.574
163 HA GLN 21 HA GLN 21 0.785 4.024 -2.903
164 HB2 GLN 21 HB2 GLN 21 -0.418 6.714 -2.274
165 HB3 GLN 21 HB1 GLN 21 1.034 6.524 -3.246
166 HG2 GLN 21 HG2 GLN 21 -0.200 5.217 -4.875
167 HG3 GLN 21 HG1 GLN 21 -1.654 5.331 -3.885
168 HE21 GLN 21 HE21 GLN 21 -2.787 6.323 -5.542
169 HE22 GLN 21 HE22 GLN 21 -2.507 7.968 -5.994
170 H ARG 22 HN ARG 22 0.311 6.065 -0.023
171 HA ARG 22 HA ARG 22 3.015 6.521 0.511
172 HB2 ARG 22 HB2 ARG 22 1.238 7.771 1.624
173 HB3 ARG 22 HB1 ARG 22 0.709 6.315 2.455
174 HG2 ARG 22 HG2 ARG 22 2.806 6.214 3.669
175 HG3 ARG 22 HG1 ARG 22 3.401 7.625 2.794
176 HD2 ARG 22 HD2 ARG 22 2.634 8.312 4.964
177 HD3 ARG 22 HD1 ARG 22 1.538 8.944 3.741
178 HE ARG 22 HE ARG 22 0.077 6.979 4.354
179 HH11 ARG 22 HH11 ARG 22 1.388 7.966 8.021
180 HH12 ARG 22 HH12 ARG 22 2.348 8.359 6.634
181 HH21 ARG 22 HH21 ARG 22 -0.628 6.888 7.765
182 HH22 ARG 22 HH22 ARG 22 -1.205 6.482 6.176
183 H HIS 23 HN HIS 23 0.857 3.928 1.494
184 HA HIS 23 HA HIS 23 2.593 2.528 3.168
185 HB2 HIS 23 HB2 HIS 23 0.300 1.907 3.188
186 HB3 HIS 23 HB1 HIS 23 0.276 1.660 1.446
187 HD1 HIS 23 HD1 HIS 23 1.081 -0.104 4.659
188 HD2 HIS 23 HD2 HIS 23 1.413 -0.705 0.547
189 HE1 HIS 23 HE1 HIS 23 1.747 -2.548 4.319
190 H LYS 24 HN LYS 24 2.055 2.245 -0.335
191 HA LYS 24 HA LYS 24 3.792 0.123 -0.841
192 HB2 LYS 24 HB2 LYS 24 2.946 2.458 -2.540
193 HB3 LYS 24 HB1 LYS 24 4.011 1.203 -3.150
194 HG2 LYS 24 HG2 LYS 24 2.315 -0.464 -2.870
195 HG3 LYS 24 HG1 LYS 24 1.262 0.687 -2.044
196 HD2 LYS 24 HD2 LYS 24 0.957 1.960 -4.027
197 HD3 LYS 24 HD1 LYS 24 2.232 1.078 -4.865
198 HE2 LYS 24 HE2 LYS 24 -0.291 -0.219 -3.862
199 HE3 LYS 24 HE1 LYS 24 -0.132 0.455 -5.481
200 HZ1 LYS 24 HZ1 LYS 24 0.295 -1.956 -5.362
201 HZ2 LYS 24 HZ2 LYS 24 1.641 -1.655 -4.383
202 HZ3 LYS 24 HZ3 LYS 24 1.606 -1.078 -5.970
203 H ARG 25 HN ARG 25 4.453 3.475 -0.198
204 HA ARG 25 HA ARG 25 7.085 3.554 -1.223
205 HB2 ARG 25 HB2 ARG 25 5.874 5.165 1.025
206 HB3 ARG 25 HB1 ARG 25 7.373 5.547 0.189
207 HG2 ARG 25 HG2 ARG 25 6.145 5.839 -1.895
208 HG3 ARG 25 HG1 ARG 25 4.640 5.445 -1.067
209 HD2 ARG 25 HD2 ARG 25 5.066 7.388 0.451
210 HD3 ARG 25 HD1 ARG 25 6.427 7.820 -0.580
211 HE ARG 25 HE ARG 25 4.456 7.689 -2.364
212 HH11 ARG 25 HH11 ARG 25 3.437 10.483 0.334
213 HH12 ARG 25 HH12 ARG 25 4.602 9.268 0.757
214 HH21 ARG 25 HH21 ARG 25 2.946 9.298 -2.927
215 HH22 ARG 25 HH22 ARG 25 2.503 10.503 -1.756
216 H THR 26 HN THR 26 5.802 1.964 1.523
217 HA THR 26 HA THR 26 8.320 1.954 2.961
218 HB THR 26 HB THR 26 7.253 0.557 4.618
219 HG1 THR 26 HG1 THR 26 5.006 0.475 2.852
220 HG21 THR 26 HG21 THR 26 5.353 2.717 3.706
221 HG22 THR 26 HG22 THR 26 6.787 2.964 4.701
222 HG23 THR 26 HG23 THR 26 5.435 2.018 5.324
223 H HIS 27 HN HIS 27 6.957 0.210 0.411
224 HA HIS 27 HA HIS 27 8.705 -2.100 0.876
225 HB2 HIS 27 HB2 HIS 27 6.715 -1.547 -1.337
226 HB3 HIS 27 HB1 HIS 27 7.707 -2.994 -1.230
227 HD1 HIS 27 HD1 HIS 27 7.217 -4.355 1.254
228 HD2 HIS 27 HD2 HIS 27 4.278 -1.925 -0.432
229 HE1 HIS 27 HE1 HIS 27 4.983 -5.136 2.213
230 H THR 28 HN THR 28 8.094 0.484 -1.457
231 HA THR 28 HA THR 28 10.295 -0.225 -3.126
232 HB THR 28 HB THR 28 9.782 2.033 -4.187
233 HG1 THR 28 HG1 THR 28 7.312 2.219 -3.106
234 HG21 THR 28 HG21 THR 28 7.689 1.233 -5.194
235 HG22 THR 28 HG22 THR 28 7.534 0.029 -3.917
236 HG23 THR 28 HG23 THR 28 8.872 -0.068 -5.062
237 H GLY 29 HN GLY 29 9.788 2.115 -0.533
238 HA2 GLY 29 HA2 GLY 29 12.642 2.839 -0.768
239 HA3 GLY 29 HA1 GLY 29 11.403 4.028 -0.398
240 H GLU 30 HN GLU 30 12.818 1.005 0.796
241 HA GLU 30 HA GLU 30 11.877 1.476 3.484
242 HB2 GLU 30 HB2 GLU 30 13.879 -0.535 2.424
243 HB3 GLU 30 HB1 GLU 30 13.241 -0.507 4.059
244 HG2 GLU 30 HG2 GLU 30 11.007 -0.942 3.218
245 HG3 GLU 30 HG1 GLU 30 11.614 -0.928 1.565
246 H LYS 31 HN LYS 31 15.028 1.399 1.866
247 HA LYS 31 HA LYS 31 15.953 3.586 3.524
248 HB2 LYS 31 HB2 LYS 31 16.478 1.450 4.780
249 HB3 LYS 31 HB1 LYS 31 17.533 1.013 3.444
250 HG2 LYS 31 HG2 LYS 31 18.820 3.094 3.843
251 HG3 LYS 31 HG1 LYS 31 17.817 3.394 5.263
252 HD2 LYS 31 HD2 LYS 31 18.546 1.195 6.163
253 HD3 LYS 31 HD1 LYS 31 19.650 1.047 4.796
254 HE2 LYS 31 HE2 LYS 31 19.681 3.176 6.930
255 HE3 LYS 31 HE1 LYS 31 20.850 1.876 6.719
256 HZ1 LYS 31 HZ1 LYS 31 21.727 3.913 5.847
257 HZ2 LYS 31 HZ2 LYS 31 20.376 4.135 4.857
258 HZ3 LYS 31 HZ3 LYS 31 21.436 2.854 4.563
259 HN1 NH2 32 HN1 NH2 32 15.991 4.679 1.570
260 HN2 NH2 32 HN2 NH2 32 17.161 4.355 0.337
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 -13.551 3.324 -3.508
2 H2 ARG 1 HT2 ARG 1 -14.728 2.470 -2.648
3 H3 ARG 1 HT3 ARG 1 -14.964 2.816 -4.284
4 HA ARG 1 HA ARG 1 -14.341 0.509 -3.951
5 HB2 ARG 1 HB2 ARG 1 -12.346 2.300 -5.337
6 HB3 ARG 1 HB1 ARG 1 -12.286 0.550 -5.450
7 HG2 ARG 1 HG2 ARG 1 -14.714 2.132 -6.241
8 HG3 ARG 1 HG1 ARG 1 -13.394 1.790 -7.359
9 HD2 ARG 1 HD2 ARG 1 -15.000 0.112 -7.743
10 HD3 ARG 1 HD1 ARG 1 -13.733 -0.652 -6.793
11 HE ARG 1 HE ARG 1 -16.025 0.381 -5.327
12 HH11 ARG 1 HH11 ARG 1 -15.335 -3.548 -5.841
13 HH12 ARG 1 HH12 ARG 1 -14.413 -2.387 -6.744
14 HH21 ARG 1 HH21 ARG 1 -16.946 -2.845 -4.363
15 HH22 ARG 1 HH22 ARG 1 -17.251 -1.151 -4.147
16 HA PRO 2 HA PRO 2 -11.318 -0.111 -0.726
17 HB2 PRO 2 HB2 PRO 2 -11.141 -2.784 -0.815
18 HB3 PRO 2 HB1 PRO 2 -12.592 -1.975 -0.210
19 HG2 PRO 2 HG2 PRO 2 -12.087 -3.206 -2.890
20 HG3 PRO 2 HG1 PRO 2 -13.536 -3.296 -1.871
21 HD2 PRO 2 HD2 PRO 2 -13.262 -1.588 -4.005
22 HD3 PRO 2 HD1 PRO 2 -14.330 -1.282 -2.623
23 H PHE 3 HN PHE 3 -9.126 -0.474 -0.543
24 HA PHE 3 HA PHE 3 -7.722 -1.115 -3.051
25 HB2 PHE 3 HB2 PHE 3 -6.892 0.743 -0.810
26 HB3 PHE 3 HB1 PHE 3 -5.887 0.328 -2.193
27 HD1 PHE 3 HD1 PHE 3 -6.506 1.092 -4.451
28 HD2 PHE 3 HD2 PHE 3 -8.676 2.296 -0.996
29 HE1 PHE 3 HE1 PHE 3 -7.506 2.937 -5.729
30 HE2 PHE 3 HE2 PHE 3 -9.688 4.141 -2.268
31 HZ PHE 3 HZ PHE 3 -9.144 4.418 -4.674
32 H NLE 4 HN NLE 4 -6.031 -2.547 -2.978
33 HA NLE 4 HA NLE 4 -5.309 -3.679 -0.379
34 HB2 NLE 4 HB1 NLE 4 -6.231 -5.300 -2.758
35 HB3 NLE 4 HB2 NLE 4 -7.115 -5.092 -1.256
36 HG2 NLE 4 HG1 NLE 4 -5.410 -6.302 -0.041
37 HG3 NLE 4 HG2 NLE 4 -4.430 -6.435 -1.503
38 HD2 NLE 4 HD1 NLE 4 -6.233 -7.739 -2.569
39 HD3 NLE 4 HD2 NLE 4 -7.166 -7.643 -1.068
40 HE1 NLE 4 HE1 NLE 4 -5.973 -9.766 -1.229
41 HE2 NLE 4 HE2 NLE 4 -5.370 -8.800 0.117
42 HE3 NLE 4 HE3 NLE 4 -4.444 -8.901 -1.381
43 H CYS 5 HN CYS 5 -3.183 -3.959 -0.217
44 HA CYS 5 HA CYS 5 -1.501 -3.490 -2.500
45 HB2 CYS 5 HB2 CYS 5 -0.866 -2.664 -0.267
46 HB3 CYS 5 HB1 CYS 5 -0.762 -4.325 0.307
47 H THR 6 HN THR 6 -1.732 -5.105 -3.944
48 HA THR 6 HA THR 6 -1.604 -7.881 -3.161
49 HB THR 6 HB THR 6 -1.688 -8.208 -5.702
50 HG1 THR 6 HG1 THR 6 -2.421 -6.282 -6.819
51 HG21 THR 6 HG21 THR 6 -3.916 -6.680 -4.348
52 HG22 THR 6 HG22 THR 6 -3.663 -8.424 -4.276
53 HG23 THR 6 HG23 THR 6 -4.079 -7.655 -5.807
54 H TRP 7 HN TRP 7 0.732 -6.490 -2.460
55 HA TRP 7 HA TRP 7 2.733 -7.009 -4.485
56 HB2 TRP 7 HB2 TRP 7 2.762 -4.973 -3.007
57 HB3 TRP 7 HB1 TRP 7 3.142 -6.029 -1.660
58 HD1 TRP 7 HD1 TRP 7 5.505 -7.608 -2.225
59 HE1 TRP 7 HE1 TRP 7 7.748 -6.697 -3.100
60 HE3 TRP 7 HE3 TRP 7 3.857 -3.211 -4.219
61 HZ2 TRP 7 HZ2 TRP 7 8.690 -4.405 -4.449
62 HZ3 TRP 7 HZ3 TRP 7 5.494 -1.709 -5.277
63 HH2 TRP 7 HH2 TRP 7 7.857 -2.292 -5.389
64 H AIB 8 HN AIB 8 2.536 -9.251 -4.615
65 HB11 AIB 8 HB11 AIB 8 5.449 -10.035 -2.866
66 HB12 AIB 8 HB12 AIB 8 5.293 -10.334 -4.597
67 HB13 AIB 8 HB13 AIB 8 5.440 -11.689 -3.477
68 HB21 AIB 8 HB21 AIB 8 3.435 -12.698 -4.312
69 HB22 AIB 8 HB22 AIB 8 3.287 -11.393 -5.488
70 HB23 AIB 8 HB23 AIB 8 1.932 -11.784 -4.428
71 H GLY 9 HN GLY 9 1.237 -10.729 -2.351
72 HA2 GLY 9 HA2 GLY 9 0.371 -11.983 -0.579
73 HA3 GLY 9 HA1 GLY 9 1.991 -12.552 -0.222
74 H CYS 10 HN CYS 10 1.251 -9.160 -0.576
75 HA CYS 10 HA CYS 10 2.099 -8.659 2.125
76 HB2 CYS 10 HB2 CYS 10 2.649 -7.169 0.192
77 HB3 CYS 10 HB1 CYS 10 0.954 -6.718 0.118
78 H GLY 11 HN GLY 11 -0.864 -7.769 0.325
79 HA2 GLY 11 HA2 GLY 11 -3.037 -8.338 0.821
80 HA3 GLY 11 HA1 GLY 11 -2.472 -9.154 2.262
81 H LYS 12 HN LYS 12 -1.289 -6.019 2.308
82 HA LYS 12 HA LYS 12 -3.065 -5.297 4.420
83 HB2 LYS 12 HB2 LYS 12 -0.833 -3.855 3.016
84 HB3 LYS 12 HB1 LYS 12 -1.886 -2.995 4.128
85 HG2 LYS 12 HG2 LYS 12 0.066 -3.661 5.313
86 HG3 LYS 12 HG1 LYS 12 -1.274 -4.649 5.885
87 HD2 LYS 12 HD2 LYS 12 -0.536 -6.483 4.453
88 HD3 LYS 12 HD1 LYS 12 0.795 -5.489 3.858
89 HE2 LYS 12 HE2 LYS 12 1.674 -5.351 6.156
90 HE3 LYS 12 HE1 LYS 12 0.375 -6.413 6.696
91 HZ1 LYS 12 HZ1 LYS 12 1.228 -8.126 5.195
92 HZ2 LYS 12 HZ2 LYS 12 2.388 -7.663 6.332
93 HZ3 LYS 12 HZ3 LYS 12 2.503 -7.109 4.742
94 H ARG 13 HN ARG 13 -4.946 -4.283 4.325
95 HA ARG 13 HA ARG 13 -5.816 -3.282 1.708
96 HB2 ARG 13 HB2 ARG 13 -7.419 -4.153 4.114
97 HB3 ARG 13 HB1 ARG 13 -8.113 -3.517 2.630
98 HG2 ARG 13 HG2 ARG 13 -7.162 -5.393 1.385
99 HG3 ARG 13 HG1 ARG 13 -6.491 -6.037 2.886
100 HD2 ARG 13 HD2 ARG 13 -8.591 -7.142 2.283
101 HD3 ARG 13 HD1 ARG 13 -8.725 -6.274 3.808
102 HE ARG 13 HE ARG 13 -9.907 -4.514 2.574
103 HH11 ARG 13 HH11 ARG 13 -11.066 -7.444 0.083
104 HH12 ARG 13 HH12 ARG 13 -9.666 -7.674 1.079
105 HH21 ARG 13 HH21 ARG 13 -11.747 -4.217 1.277
106 HH22 ARG 13 HH22 ARG 13 -12.245 -5.475 0.189
107 H PHE 14 HN PHE 14 -6.732 -1.300 1.457
108 HA PHE 14 HA PHE 14 -6.801 0.513 3.758
109 HB2 PHE 14 HB2 PHE 14 -5.529 1.210 1.100
110 HB3 PHE 14 HB1 PHE 14 -5.623 2.236 2.524
111 HD1 PHE 14 HD1 PHE 14 -4.295 1.695 4.527
112 HD2 PHE 14 HD2 PHE 14 -3.846 -0.437 0.877
113 HE1 PHE 14 HE1 PHE 14 -2.136 0.818 5.310
114 HE2 PHE 14 HE2 PHE 14 -1.681 -1.315 1.650
115 HZ PHE 14 HZ PHE 14 -0.828 -0.688 3.873
116 H THR 15 HN THR 15 -8.231 2.315 3.445
117 HA THR 15 HA THR 15 -10.213 1.824 1.339
118 HB THR 15 HB THR 15 -11.596 3.467 2.744
119 HG1 THR 15 HG1 THR 15 -10.347 2.809 5.050
120 HG21 THR 15 HG21 THR 15 -12.249 1.694 4.331
121 HG22 THR 15 HG22 THR 15 -10.803 0.788 3.888
122 HG23 THR 15 HG23 THR 15 -12.061 1.081 2.688
123 H ARG 16 HN ARG 16 -7.529 3.521 1.594
124 HA ARG 16 HA ARG 16 -8.558 5.704 -0.062
125 HB2 ARG 16 HB2 ARG 16 -6.585 5.999 2.210
126 HB3 ARG 16 HB1 ARG 16 -6.962 7.262 1.051
127 HG2 ARG 16 HG2 ARG 16 -9.356 7.094 1.834
128 HG3 ARG 16 HG1 ARG 16 -8.756 6.077 3.145
129 HD2 ARG 16 HD2 ARG 16 -8.974 8.437 3.811
130 HD3 ARG 16 HD1 ARG 16 -7.312 7.859 3.912
131 HE ARG 16 HE ARG 16 -8.229 9.351 1.548
132 HH11 ARG 16 HH11 ARG 16 -6.113 9.094 4.335
133 HH12 ARG 16 HH12 ARG 16 -5.062 10.365 3.803
134 HH21 ARG 16 HH21 ARG 16 -6.840 11.013 0.855
135 HH22 ARG 16 HH22 ARG 16 -5.473 11.454 1.828
136 H SER 17 HN SER 17 -7.365 6.107 -1.834
137 HA SER 17 HA SER 17 -5.382 4.248 -2.622
138 HB2 SER 17 HB2 SER 17 -5.145 5.816 -4.599
139 HB3 SER 17 HB1 SER 17 -6.778 5.219 -4.307
140 HG SER 17 HG SER 17 -5.732 7.782 -4.014
141 H ASP 18 HN ASP 18 -5.293 7.501 -1.337
142 HA ASP 18 HA ASP 18 -2.533 7.987 -1.699
143 HB2 ASP 18 HB2 ASP 18 -3.991 9.832 -1.164
144 HB3 ASP 18 HB1 ASP 18 -4.486 9.067 0.341
145 H GLU 19 HN GLU 19 -4.386 6.370 0.771
146 HA GLU 19 HA GLU 19 -2.285 6.051 2.645
147 HB2 GLU 19 HB2 GLU 19 -4.809 5.815 3.032
148 HB3 GLU 19 HB1 GLU 19 -4.649 4.212 2.340
149 HG2 GLU 19 HG2 GLU 19 -4.602 4.031 4.709
150 HG3 GLU 19 HG1 GLU 19 -2.988 3.678 4.089
151 H LEU 20 HN LEU 20 -3.609 4.052 0.052
152 HA LEU 20 HA LEU 20 -1.907 1.844 0.358
153 HB2 LEU 20 HB2 LEU 20 -3.869 1.724 -1.043
154 HB3 LEU 20 HB1 LEU 20 -3.241 2.973 -2.101
155 HG LEU 20 HG LEU 20 -1.390 1.433 -2.745
156 HD11 LEU 20 HD11 LEU 20 -2.972 -0.555 -1.130
157 HD12 LEU 20 HD12 LEU 20 -1.331 0.005 -0.806
158 HD13 LEU 20 HD13 LEU 20 -1.668 -0.965 -2.240
159 HD21 LEU 20 HD21 LEU 20 -2.731 0.046 -4.211
160 HD22 LEU 20 HD22 LEU 20 -3.420 1.667 -4.114
161 HD23 LEU 20 HD23 LEU 20 -4.158 0.338 -3.220
162 H GLN 21 HN GLN 21 -1.553 4.744 -1.705
163 HA GLN 21 HA GLN 21 0.940 4.062 -2.794
164 HB2 GLN 21 HB2 GLN 21 -0.335 6.745 -2.277
165 HB3 GLN 21 HB1 GLN 21 1.214 6.574 -3.094
166 HG2 GLN 21 HG2 GLN 21 -1.411 5.420 -4.012
167 HG3 GLN 21 HG1 GLN 21 -0.600 6.833 -4.686
168 HE21 GLN 21 HE21 GLN 21 1.245 6.552 -5.941
169 HE22 GLN 21 HE22 GLN 21 1.682 5.014 -6.604
170 H ARG 22 HN ARG 22 0.151 5.995 0.057
171 HA ARG 22 HA ARG 22 2.652 6.618 1.019
172 HB2 ARG 22 HB2 ARG 22 0.581 7.411 2.027
173 HB3 ARG 22 HB1 ARG 22 0.173 5.784 2.530
174 HG2 ARG 22 HG2 ARG 22 2.128 5.786 4.033
175 HG3 ARG 22 HG1 ARG 22 2.440 7.463 3.570
176 HD2 ARG 22 HD2 ARG 22 0.270 8.133 4.410
177 HD3 ARG 22 HD1 ARG 22 -0.130 6.463 4.795
178 HE ARG 22 HE ARG 22 2.243 7.366 6.118
179 HH11 ARG 22 HH11 ARG 22 -1.321 7.560 7.962
180 HH12 ARG 22 HH12 ARG 22 -1.249 7.239 6.256
181 HH21 ARG 22 HH21 ARG 22 0.623 7.832 9.167
182 HH22 ARG 22 HH22 ARG 22 2.160 7.741 8.368
183 H HIS 23 HN HIS 23 0.730 3.725 1.735
184 HA HIS 23 HA HIS 23 2.626 2.348 3.235
185 HB2 HIS 23 HB2 HIS 23 0.410 1.524 3.301
186 HB3 HIS 23 HB1 HIS 23 0.298 1.444 1.548
187 HD1 HIS 23 HD1 HIS 23 1.591 -0.517 4.513
188 HD2 HIS 23 HD2 HIS 23 1.360 -0.785 0.359
189 HE1 HIS 23 HE1 HIS 23 2.289 -2.895 3.889
190 H LYS 24 HN LYS 24 2.026 2.299 -0.262
191 HA LYS 24 HA LYS 24 3.795 0.282 -0.982
192 HB2 LYS 24 HB2 LYS 24 2.988 2.770 -2.482
193 HB3 LYS 24 HB1 LYS 24 3.946 1.483 -3.194
194 HG2 LYS 24 HG2 LYS 24 1.220 1.027 -2.017
195 HG3 LYS 24 HG1 LYS 24 1.485 1.449 -3.707
196 HD2 LYS 24 HD2 LYS 24 2.986 -0.556 -3.870
197 HD3 LYS 24 HD1 LYS 24 2.451 -1.003 -2.249
198 HE2 LYS 24 HE2 LYS 24 0.144 -1.096 -3.020
199 HE3 LYS 24 HE1 LYS 24 0.652 -0.616 -4.636
200 HZ1 LYS 24 HZ1 LYS 24 0.319 -2.994 -4.500
201 HZ2 LYS 24 HZ2 LYS 24 1.438 -3.113 -3.237
202 HZ3 LYS 24 HZ3 LYS 24 1.952 -2.652 -4.782
203 H ARG 25 HN ARG 25 4.428 3.584 -0.072
204 HA ARG 25 HA ARG 25 7.001 3.800 -1.199
205 HB2 ARG 25 HB2 ARG 25 5.881 5.219 1.216
206 HB3 ARG 25 HB1 ARG 25 7.316 5.701 0.317
207 HG2 ARG 25 HG2 ARG 25 5.869 5.950 -1.701
208 HG3 ARG 25 HG1 ARG 25 4.472 5.671 -0.663
209 HD2 ARG 25 HD2 ARG 25 4.717 8.022 -0.898
210 HD3 ARG 25 HD1 ARG 25 5.237 7.599 0.733
211 HE ARG 25 HE ARG 25 7.468 7.606 -0.980
212 HH11 ARG 25 HH11 ARG 25 6.312 11.145 0.519
213 HH12 ARG 25 HH12 ARG 25 5.197 9.816 0.496
214 HH21 ARG 25 HH21 ARG 25 8.934 9.355 -0.981
215 HH22 ARG 25 HH22 ARG 25 8.440 10.886 -0.328
216 H THR 26 HN THR 26 5.924 1.939 1.443
217 HA THR 26 HA THR 26 8.474 1.843 2.779
218 HB THR 26 HB THR 26 7.557 -0.030 4.070
219 HG1 THR 26 HG1 THR 26 5.118 0.271 2.641
220 HG21 THR 26 HG21 THR 26 5.587 2.240 3.771
221 HG22 THR 26 HG22 THR 26 7.033 2.256 4.780
222 HG23 THR 26 HG23 THR 26 5.709 1.152 5.154
223 H HIS 27 HN HIS 27 6.815 0.041 0.272
224 HA HIS 27 HA HIS 27 8.735 -2.094 0.159
225 HB2 HIS 27 HB2 HIS 27 6.662 -1.168 -1.843
226 HB3 HIS 27 HB1 HIS 27 7.677 -2.583 -2.070
227 HD1 HIS 27 HD1 HIS 27 7.226 -4.610 -0.279
228 HD2 HIS 27 HD2 HIS 27 4.367 -1.584 -0.537
229 HE1 HIS 27 HE1 HIS 27 5.065 -5.562 0.692
230 H THR 28 HN THR 28 8.193 0.972 -1.459
231 HA THR 28 HA THR 28 10.356 0.569 -3.317
232 HB THR 28 HB THR 28 9.866 3.001 -3.897
233 HG1 THR 28 HG1 THR 28 7.396 3.076 -2.927
234 HG21 THR 28 HG21 THR 28 8.976 1.125 -5.196
235 HG22 THR 28 HG22 THR 28 7.798 2.434 -5.089
236 HG23 THR 28 HG23 THR 28 7.612 0.996 -4.085
237 H GLY 29 HN GLY 29 10.427 1.138 -0.134
238 HA2 GLY 29 HA2 GLY 29 12.202 3.326 0.139
239 HA3 GLY 29 HA1 GLY 29 11.971 2.038 1.313
240 H GLU 30 HN GLU 30 12.821 -0.175 0.091
241 HA GLU 30 HA GLU 30 15.625 0.402 -0.583
242 HB2 GLU 30 HB2 GLU 30 14.341 -2.099 0.532
243 HB3 GLU 30 HB1 GLU 30 16.001 -2.028 -0.025
244 HG2 GLU 30 HG2 GLU 30 16.044 -1.848 2.325
245 HG3 GLU 30 HG1 GLU 30 16.408 -0.249 1.683
246 H LYS 31 HN LYS 31 12.887 -1.680 -1.411
247 HA LYS 31 HA LYS 31 14.221 -2.689 -3.757
248 HB2 LYS 31 HB2 LYS 31 12.764 -4.141 -2.399
249 HB3 LYS 31 HB1 LYS 31 11.392 -3.108 -2.769
250 HG2 LYS 31 HG2 LYS 31 11.336 -5.096 -4.134
251 HG3 LYS 31 HG1 LYS 31 11.619 -3.678 -5.144
252 HD2 LYS 31 HD2 LYS 31 14.005 -4.186 -5.202
253 HD3 LYS 31 HD1 LYS 31 13.738 -5.589 -4.168
254 HE2 LYS 31 HE2 LYS 31 13.932 -6.277 -6.485
255 HE3 LYS 31 HE1 LYS 31 12.297 -6.572 -5.895
256 HZ1 LYS 31 HZ1 LYS 31 11.577 -4.547 -6.997
257 HZ2 LYS 31 HZ2 LYS 31 12.280 -5.611 -8.104
258 HZ3 LYS 31 HZ3 LYS 31 13.146 -4.266 -7.561
259 HN1 NH2 32 HN1 NH2 32 10.941 -1.392 -3.497
260 HN2 NH2 32 HN2 NH2 32 11.019 -0.432 -4.938
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 -14.955 3.278 -4.059
2 H2 ARG 1 HT2 ARG 1 -13.678 3.750 -3.053
3 H3 ARG 1 HT3 ARG 1 -14.814 2.630 -2.504
4 HA ARG 1 HA ARG 1 -14.109 1.013 -4.082
5 HB2 ARG 1 HB2 ARG 1 -12.102 1.481 -5.489
6 HB3 ARG 1 HB1 ARG 1 -13.503 2.453 -5.922
7 HG2 ARG 1 HG2 ARG 1 -12.560 4.342 -4.678
8 HG3 ARG 1 HG1 ARG 1 -11.146 3.364 -4.284
9 HD2 ARG 1 HD2 ARG 1 -10.607 3.165 -6.646
10 HD3 ARG 1 HD1 ARG 1 -12.052 4.085 -7.069
11 HE ARG 1 HE ARG 1 -10.487 5.597 -5.291
12 HH11 ARG 1 HH11 ARG 1 -9.453 5.764 -9.162
13 HH12 ARG 1 HH12 ARG 1 -10.437 4.451 -8.596
14 HH21 ARG 1 HH21 ARG 1 -8.756 7.393 -7.708
15 HH22 ARG 1 HH22 ARG 1 -9.209 7.320 -6.031
16 HA PRO 2 HA PRO 2 -11.237 0.191 -0.746
17 HB2 PRO 2 HB2 PRO 2 -11.190 -2.476 -0.958
18 HB3 PRO 2 HB1 PRO 2 -12.600 -1.627 -0.315
19 HG2 PRO 2 HG2 PRO 2 -12.154 -2.762 -3.045
20 HG3 PRO 2 HG1 PRO 2 -13.607 -2.821 -2.030
21 HD2 PRO 2 HD2 PRO 2 -13.235 -1.035 -4.089
22 HD3 PRO 2 HD1 PRO 2 -14.303 -0.746 -2.703
23 H PHE 3 HN PHE 3 -9.084 -0.413 -0.558
24 HA PHE 3 HA PHE 3 -7.673 -0.972 -3.084
25 HB2 PHE 3 HB2 PHE 3 -6.818 0.792 -0.775
26 HB3 PHE 3 HB1 PHE 3 -5.790 0.365 -2.135
27 HD1 PHE 3 HD1 PHE 3 -6.108 1.358 -4.294
28 HD2 PHE 3 HD2 PHE 3 -8.698 2.301 -1.061
29 HE1 PHE 3 HE1 PHE 3 -6.994 3.264 -5.568
30 HE2 PHE 3 HE2 PHE 3 -9.594 4.205 -2.326
31 HZ PHE 3 HZ PHE 3 -8.742 4.690 -4.585
32 H NLE 4 HN NLE 4 -6.032 -2.509 -2.989
33 HA NLE 4 HA NLE 4 -5.368 -3.600 -0.366
34 HB2 NLE 4 HB1 NLE 4 -6.336 -5.335 -2.638
35 HB3 NLE 4 HB2 NLE 4 -7.277 -4.932 -1.210
36 HG2 NLE 4 HG1 NLE 4 -5.624 -6.071 0.195
37 HG3 NLE 4 HG2 NLE 4 -4.694 -6.484 -1.246
38 HD2 NLE 4 HD1 NLE 4 -6.580 -7.787 -2.100
39 HD3 NLE 4 HD2 NLE 4 -7.528 -7.359 -0.667
40 HE1 NLE 4 HE1 NLE 4 -4.935 -8.899 -0.684
41 HE2 NLE 4 HE2 NLE 4 -6.542 -9.578 -0.431
42 HE3 NLE 4 HE3 NLE 4 -5.861 -8.458 0.750
43 H CYS 5 HN CYS 5 -3.290 -3.814 -0.197
44 HA CYS 5 HA CYS 5 -1.565 -3.694 -2.499
45 HB2 CYS 5 HB2 CYS 5 -0.941 -2.512 -0.457
46 HB3 CYS 5 HB1 CYS 5 -0.961 -4.024 0.440
47 H THR 6 HN THR 6 -1.773 -5.553 -3.667
48 HA THR 6 HA THR 6 -1.635 -8.127 -2.344
49 HB THR 6 HB THR 6 -1.772 -8.950 -4.784
50 HG1 THR 6 HG1 THR 6 -1.314 -7.179 -5.984
51 HG21 THR 6 HG21 THR 6 -3.666 -9.016 -3.254
52 HG22 THR 6 HG22 THR 6 -4.201 -8.519 -4.860
53 HG23 THR 6 HG23 THR 6 -4.013 -7.319 -3.582
54 H TRP 7 HN TRP 7 0.682 -6.530 -2.069
55 HA TRP 7 HA TRP 7 2.760 -7.391 -3.785
56 HB2 TRP 7 HB2 TRP 7 2.920 -5.428 -2.253
57 HB3 TRP 7 HB1 TRP 7 2.931 -6.530 -0.889
58 HD1 TRP 7 HD1 TRP 7 5.163 -8.043 -0.561
59 HE1 TRP 7 HE1 TRP 7 7.595 -7.615 -1.294
60 HE3 TRP 7 HE3 TRP 7 4.320 -4.410 -4.043
61 HZ2 TRP 7 HZ2 TRP 7 8.968 -5.946 -3.111
62 HZ3 TRP 7 HZ3 TRP 7 6.246 -3.444 -5.234
63 HH2 TRP 7 HH2 TRP 7 8.518 -4.196 -4.777
64 H AIB 8 HN AIB 8 4.181 -9.077 -3.556
65 HB11 AIB 8 HB11 AIB 8 6.141 -10.615 -2.901
66 HB12 AIB 8 HB12 AIB 8 5.180 -11.185 -4.266
67 HB13 AIB 8 HB13 AIB 8 5.603 -12.293 -2.961
68 HB21 AIB 8 HB21 AIB 8 2.919 -11.858 -3.984
69 HB22 AIB 8 HB22 AIB 8 2.036 -11.551 -2.492
70 HB23 AIB 8 HB23 AIB 8 3.224 -12.853 -2.560
71 H GLY 9 HN GLY 9 2.430 -11.622 -0.649
72 HA2 GLY 9 HA2 GLY 9 2.811 -12.462 1.509
73 HA3 GLY 9 HA1 GLY 9 4.460 -11.867 1.426
74 H CYS 10 HN CYS 10 1.809 -9.764 0.560
75 HA CYS 10 HA CYS 10 2.182 -8.399 3.138
76 HB2 CYS 10 HB2 CYS 10 3.024 -7.148 1.173
77 HB3 CYS 10 HB1 CYS 10 1.394 -7.133 0.516
78 H GLY 11 HN GLY 11 -0.318 -7.856 0.660
79 HA2 GLY 11 HA2 GLY 11 -2.599 -8.094 0.755
80 HA3 GLY 11 HA1 GLY 11 -2.368 -9.226 2.077
81 H LYS 12 HN LYS 12 -1.379 -5.841 1.950
82 HA LYS 12 HA LYS 12 -2.921 -5.302 4.360
83 HB2 LYS 12 HB2 LYS 12 -0.463 -4.484 3.643
84 HB3 LYS 12 HB1 LYS 12 -1.397 -3.157 2.971
85 HG2 LYS 12 HG2 LYS 12 -0.740 -2.466 5.112
86 HG3 LYS 12 HG1 LYS 12 -2.443 -2.903 5.252
87 HD2 LYS 12 HD2 LYS 12 -1.849 -5.047 6.212
88 HD3 LYS 12 HD1 LYS 12 -0.134 -4.707 5.975
89 HE2 LYS 12 HE2 LYS 12 -0.691 -4.309 8.276
90 HE3 LYS 12 HE1 LYS 12 -0.360 -2.765 7.494
91 HZ1 LYS 12 HZ1 LYS 12 -2.295 -2.574 8.873
92 HZ2 LYS 12 HZ2 LYS 12 -3.034 -3.890 8.113
93 HZ3 LYS 12 HZ3 LYS 12 -2.773 -2.459 7.255
94 H ARG 13 HN ARG 13 -4.850 -4.235 4.338
95 HA ARG 13 HA ARG 13 -5.780 -3.347 1.688
96 HB2 ARG 13 HB2 ARG 13 -6.880 -5.368 2.792
97 HB3 ARG 13 HB1 ARG 13 -7.557 -4.235 3.953
98 HG2 ARG 13 HG2 ARG 13 -8.707 -3.057 2.179
99 HG3 ARG 13 HG1 ARG 13 -7.976 -4.119 0.975
100 HD2 ARG 13 HD2 ARG 13 -9.081 -6.041 2.174
101 HD3 ARG 13 HD1 ARG 13 -9.966 -4.840 3.113
102 HE ARG 13 HE ARG 13 -10.125 -4.791 0.177
103 HH11 ARG 13 HH11 ARG 13 -13.283 -5.243 2.615
104 HH12 ARG 13 HH12 ARG 13 -11.683 -5.261 3.280
105 HH21 ARG 13 HH21 ARG 13 -12.230 -4.797 -0.697
106 HH22 ARG 13 HH22 ARG 13 -13.597 -4.976 0.354
107 H PHE 14 HN PHE 14 -6.711 -1.401 1.425
108 HA PHE 14 HA PHE 14 -7.009 0.352 3.767
109 HB2 PHE 14 HB2 PHE 14 -5.693 1.169 1.165
110 HB3 PHE 14 HB1 PHE 14 -5.878 2.156 2.608
111 HD1 PHE 14 HD1 PHE 14 -4.604 1.595 4.652
112 HD2 PHE 14 HD2 PHE 14 -3.918 -0.354 0.938
113 HE1 PHE 14 HE1 PHE 14 -2.422 0.812 5.473
114 HE2 PHE 14 HE2 PHE 14 -1.733 -1.137 1.743
115 HZ PHE 14 HZ PHE 14 -0.986 -0.556 4.017
116 H THR 15 HN THR 15 -8.252 2.376 3.166
117 HA THR 15 HA THR 15 -10.237 1.761 1.076
118 HB THR 15 HB THR 15 -11.667 3.431 2.463
119 HG1 THR 15 HG1 THR 15 -10.590 4.153 4.142
120 HG21 THR 15 HG21 THR 15 -12.184 1.049 2.249
121 HG22 THR 15 HG22 THR 15 -12.476 1.602 3.898
122 HG23 THR 15 HG23 THR 15 -11.024 0.674 3.522
123 H ARG 16 HN ARG 16 -7.627 3.621 1.614
124 HA ARG 16 HA ARG 16 -8.635 5.763 -0.119
125 HB2 ARG 16 HB2 ARG 16 -6.928 5.991 2.348
126 HB3 ARG 16 HB1 ARG 16 -6.953 7.250 1.122
127 HG2 ARG 16 HG2 ARG 16 -9.391 6.247 2.562
128 HG3 ARG 16 HG1 ARG 16 -8.461 7.668 3.043
129 HD2 ARG 16 HD2 ARG 16 -9.975 7.244 0.472
130 HD3 ARG 16 HD1 ARG 16 -10.332 8.410 1.745
131 HE ARG 16 HE ARG 16 -7.795 9.037 0.943
132 HH11 ARG 16 HH11 ARG 16 -10.908 8.772 -0.652
133 HH12 ARG 16 HH12 ARG 16 -10.514 9.923 -1.889
134 HH21 ARG 16 HH21 ARG 16 -7.263 10.535 -0.695
135 HH22 ARG 16 HH22 ARG 16 -8.444 10.926 -1.911
136 H SER 17 HN SER 17 -7.364 6.359 -1.769
137 HA SER 17 HA SER 17 -5.378 4.580 -2.688
138 HB2 SER 17 HB2 SER 17 -5.062 6.465 -4.429
139 HB3 SER 17 HB1 SER 17 -6.645 5.694 -4.339
140 HG SER 17 HG SER 17 -6.151 8.242 -4.129
141 H ASP 18 HN ASP 18 -5.250 7.804 -1.253
142 HA ASP 18 HA ASP 18 -2.492 8.252 -1.510
143 HB2 ASP 18 HB2 ASP 18 -4.246 9.199 0.765
144 HB3 ASP 18 HB1 ASP 18 -2.729 9.912 0.242
145 H GLU 19 HN GLU 19 -4.366 6.458 0.790
146 HA GLU 19 HA GLU 19 -2.334 6.068 2.723
147 HB2 GLU 19 HB2 GLU 19 -4.910 5.738 2.912
148 HB3 GLU 19 HB1 GLU 19 -4.594 4.144 2.250
149 HG2 GLU 19 HG2 GLU 19 -4.689 3.942 4.599
150 HG3 GLU 19 HG1 GLU 19 -3.001 3.767 4.123
151 H LEU 20 HN LEU 20 -3.625 4.050 0.098
152 HA LEU 20 HA LEU 20 -1.856 1.904 0.373
153 HB2 LEU 20 HB2 LEU 20 -3.843 1.734 -0.996
154 HB3 LEU 20 HB1 LEU 20 -3.250 2.982 -2.077
155 HG LEU 20 HG LEU 20 -1.362 1.458 -2.698
156 HD11 LEU 20 HD11 LEU 20 -1.317 0.032 -0.760
157 HD12 LEU 20 HD12 LEU 20 -1.634 -0.940 -2.198
158 HD13 LEU 20 HD13 LEU 20 -2.951 -0.537 -1.099
159 HD21 LEU 20 HD21 LEU 20 -2.665 0.096 -4.201
160 HD22 LEU 20 HD22 LEU 20 -3.400 1.695 -4.075
161 HD23 LEU 20 HD23 LEU 20 -4.108 0.327 -3.215
162 H GLN 21 HN GLN 21 -1.575 4.882 -1.537
163 HA GLN 21 HA GLN 21 0.830 4.256 -2.831
164 HB2 GLN 21 HB2 GLN 21 -0.399 6.895 -2.056
165 HB3 GLN 21 HB1 GLN 21 1.114 6.792 -2.947
166 HG2 GLN 21 HG2 GLN 21 -1.538 5.685 -3.839
167 HG3 GLN 21 HG1 GLN 21 -0.775 7.160 -4.431
168 HE21 GLN 21 HE21 GLN 21 -1.558 4.733 -5.862
169 HE22 GLN 21 HE22 GLN 21 -0.124 4.150 -6.630
170 H ARG 22 HN ARG 22 0.289 6.063 0.190
171 HA ARG 22 HA ARG 22 2.974 6.501 0.827
172 HB2 ARG 22 HB2 ARG 22 1.068 7.563 2.005
173 HB3 ARG 22 HB1 ARG 22 0.690 6.016 2.748
174 HG2 ARG 22 HG2 ARG 22 2.862 6.018 3.870
175 HG3 ARG 22 HG1 ARG 22 3.239 7.574 3.130
176 HD2 ARG 22 HD2 ARG 22 1.310 8.571 4.272
177 HD3 ARG 22 HD1 ARG 22 0.965 7.018 5.033
178 HE ARG 22 HE ARG 22 3.616 7.721 5.608
179 HH11 ARG 22 HH11 ARG 22 0.796 9.456 7.888
180 HH12 ARG 22 HH12 ARG 22 0.373 8.819 6.330
181 HH21 ARG 22 HH21 ARG 22 2.963 9.302 8.644
182 HH22 ARG 22 HH22 ARG 22 4.173 8.540 7.665
183 H HIS 23 HN HIS 23 0.822 3.817 1.623
184 HA HIS 23 HA HIS 23 2.616 2.322 3.160
185 HB2 HIS 23 HB2 HIS 23 0.326 1.697 3.254
186 HB3 HIS 23 HB1 HIS 23 0.219 1.541 1.504
187 HD1 HIS 23 HD1 HIS 23 1.277 -0.363 4.577
188 HD2 HIS 23 HD2 HIS 23 1.253 -0.792 0.427
189 HE1 HIS 23 HE1 HIS 23 1.911 -2.781 4.085
190 H LYS 24 HN LYS 24 1.978 2.277 -0.334
191 HA LYS 24 HA LYS 24 3.572 0.113 -1.042
192 HB2 LYS 24 HB2 LYS 24 2.875 2.635 -2.527
193 HB3 LYS 24 HB1 LYS 24 3.875 1.388 -3.253
194 HG2 LYS 24 HG2 LYS 24 1.081 0.952 -2.217
195 HG3 LYS 24 HG1 LYS 24 1.500 1.257 -3.905
196 HD2 LYS 24 HD2 LYS 24 2.985 -0.763 -3.800
197 HD3 LYS 24 HD1 LYS 24 2.301 -1.100 -2.209
198 HE2 LYS 24 HE2 LYS 24 0.070 -1.227 -3.191
199 HE3 LYS 24 HE1 LYS 24 0.749 -0.886 -4.782
200 HZ1 LYS 24 HZ1 LYS 24 2.037 -2.930 -4.618
201 HZ2 LYS 24 HZ2 LYS 24 0.382 -3.242 -4.490
202 HZ3 LYS 24 HZ3 LYS 24 1.352 -3.261 -3.106
203 H ARG 25 HN ARG 25 4.469 3.348 -0.158
204 HA ARG 25 HA ARG 25 7.132 3.113 -1.204
205 HB2 ARG 25 HB2 ARG 25 5.809 5.194 0.528
206 HB3 ARG 25 HB1 ARG 25 7.465 5.316 -0.064
207 HG2 ARG 25 HG2 ARG 25 6.669 5.218 -2.358
208 HG3 ARG 25 HG1 ARG 25 5.012 5.053 -1.788
209 HD2 ARG 25 HD2 ARG 25 5.069 7.259 -0.835
210 HD3 ARG 25 HD1 ARG 25 6.784 7.422 -1.222
211 HE ARG 25 HE ARG 25 5.858 7.036 -3.637
212 HH11 ARG 25 HH11 ARG 25 3.656 10.073 -2.215
213 HH12 ARG 25 HH12 ARG 25 4.429 8.988 -1.105
214 HH21 ARG 25 HH21 ARG 25 4.835 8.441 -5.086
215 HH22 ARG 25 HH22 ARG 25 3.880 9.760 -4.485
216 H THR 26 HN THR 26 5.853 1.482 1.232
217 HA THR 26 HA THR 26 8.258 1.570 2.882
218 HB THR 26 HB THR 26 7.227 -0.203 4.219
219 HG1 THR 26 HG1 THR 26 4.868 -0.019 2.663
220 HG21 THR 26 HG21 THR 26 5.299 2.038 3.612
221 HG22 THR 26 HG22 THR 26 6.647 2.109 4.747
222 HG23 THR 26 HG23 THR 26 5.284 1.034 5.061
223 H HIS 27 HN HIS 27 6.689 -0.361 0.416
224 HA HIS 27 HA HIS 27 8.699 -2.426 0.418
225 HB2 HIS 27 HB2 HIS 27 6.642 -1.747 -1.704
226 HB3 HIS 27 HB1 HIS 27 7.606 -3.216 -1.640
227 HD1 HIS 27 HD1 HIS 27 7.069 -4.732 0.677
228 HD2 HIS 27 HD2 HIS 27 4.216 -2.001 -0.658
229 HE1 HIS 27 HE1 HIS 27 4.835 -5.465 1.670
230 H THR 28 HN THR 28 7.921 0.466 -1.402
231 HA THR 28 HA THR 28 10.445 0.225 -2.887
232 HB THR 28 HB THR 28 9.370 1.928 -4.437
233 HG1 THR 28 HG1 THR 28 7.030 1.127 -3.001
234 HG21 THR 28 HG21 THR 28 8.045 -0.772 -4.159
235 HG22 THR 28 HG22 THR 28 9.538 -0.434 -5.034
236 HG23 THR 28 HG23 THR 28 8.011 0.240 -5.603
237 H GLY 29 HN GLY 29 10.719 1.083 -0.337
238 HA2 GLY 29 HA2 GLY 29 11.449 3.889 -0.702
239 HA3 GLY 29 HA1 GLY 29 10.375 3.500 0.633
240 H GLU 30 HN GLU 30 12.148 4.465 1.890
241 HA GLU 30 HA GLU 30 14.686 3.169 1.985
242 HB2 GLU 30 HB2 GLU 30 13.396 5.171 3.840
243 HB3 GLU 30 HB1 GLU 30 15.040 4.587 4.018
244 HG2 GLU 30 HG2 GLU 30 13.946 6.108 1.667
245 HG3 GLU 30 HG1 GLU 30 15.016 6.735 2.921
246 H LYS 31 HN LYS 31 11.940 3.272 4.256
247 HA LYS 31 HA LYS 31 13.034 0.872 5.540
248 HB2 LYS 31 HB2 LYS 31 12.553 2.818 7.008
249 HB3 LYS 31 HB1 LYS 31 10.866 2.743 6.523
250 HG2 LYS 31 HG2 LYS 31 11.189 1.729 8.701
251 HG3 LYS 31 HG1 LYS 31 10.667 0.526 7.521
252 HD2 LYS 31 HD2 LYS 31 12.972 -0.243 7.274
253 HD3 LYS 31 HD1 LYS 31 13.513 0.979 8.425
254 HE2 LYS 31 HE2 LYS 31 11.607 -1.285 9.013
255 HE3 LYS 31 HE1 LYS 31 13.307 -1.225 9.471
256 HZ1 LYS 31 HZ1 LYS 31 11.207 0.662 10.397
257 HZ2 LYS 31 HZ2 LYS 31 12.835 0.699 10.845
258 HZ3 LYS 31 HZ3 LYS 31 11.866 -0.604 11.306
259 HN1 NH2 32 HN1 NH2 32 12.356 -0.467 3.833
260 HN2 NH2 32 HN2 NH2 32 10.695 -0.915 3.632
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 -13.149 4.137 -2.278
2 H2 ARG 1 HT2 ARG 1 -14.484 3.152 -1.951
3 H3 ARG 1 HT3 ARG 1 -14.460 4.112 -3.342
4 HA ARG 1 HA ARG 1 -14.024 1.774 -3.823
5 HB2 ARG 1 HB2 ARG 1 -13.112 3.532 -5.290
6 HB3 ARG 1 HB1 ARG 1 -11.681 3.642 -4.275
7 HG2 ARG 1 HG2 ARG 1 -11.104 1.329 -4.845
8 HG3 ARG 1 HG1 ARG 1 -12.530 1.238 -5.879
9 HD2 ARG 1 HD2 ARG 1 -11.640 3.020 -7.284
10 HD3 ARG 1 HD1 ARG 1 -10.231 3.160 -6.231
11 HE ARG 1 HE ARG 1 -10.648 0.522 -7.340
12 HH11 ARG 1 HH11 ARG 1 -7.913 3.036 -8.884
13 HH12 ARG 1 HH12 ARG 1 -9.142 3.650 -7.821
14 HH21 ARG 1 HH21 ARG 1 -7.856 0.794 -9.408
15 HH22 ARG 1 HH22 ARG 1 -9.040 -0.287 -8.739
16 HA PRO 2 HA PRO 2 -11.419 -0.232 -0.775
17 HB2 PRO 2 HB2 PRO 2 -11.445 -2.711 -1.815
18 HB3 PRO 2 HB1 PRO 2 -12.858 -2.029 -1.004
19 HG2 PRO 2 HG2 PRO 2 -12.283 -2.260 -3.932
20 HG3 PRO 2 HG1 PRO 2 -13.796 -2.575 -3.061
21 HD2 PRO 2 HD2 PRO 2 -13.295 -0.255 -4.416
22 HD3 PRO 2 HD1 PRO 2 -14.369 -0.351 -3.007
23 H PHE 3 HN PHE 3 -9.268 -0.664 -0.609
24 HA PHE 3 HA PHE 3 -7.730 -1.036 -3.090
25 HB2 PHE 3 HB2 PHE 3 -7.059 0.787 -0.772
26 HB3 PHE 3 HB1 PHE 3 -5.930 0.367 -2.051
27 HD1 PHE 3 HD1 PHE 3 -6.410 1.073 -4.390
28 HD2 PHE 3 HD2 PHE 3 -8.699 2.452 -1.081
29 HE1 PHE 3 HE1 PHE 3 -7.273 2.923 -5.762
30 HE2 PHE 3 HE2 PHE 3 -9.570 4.297 -2.446
31 HZ PHE 3 HZ PHE 3 -8.860 4.538 -4.792
32 H NLE 4 HN NLE 4 -5.981 -2.435 -2.937
33 HA NLE 4 HA NLE 4 -5.296 -3.511 -0.322
34 HB2 NLE 4 HB1 NLE 4 -6.204 -5.295 -2.585
35 HB3 NLE 4 HB2 NLE 4 -7.159 -4.921 -1.161
36 HG2 NLE 4 HG1 NLE 4 -5.389 -5.970 0.237
37 HG3 NLE 4 HG2 NLE 4 -4.565 -6.446 -1.248
38 HD2 NLE 4 HD1 NLE 4 -6.501 -7.763 -1.926
39 HD3 NLE 4 HD2 NLE 4 -7.367 -7.261 -0.466
40 HE1 NLE 4 HE1 NLE 4 -4.802 -8.843 -0.552
41 HE2 NLE 4 HE2 NLE 4 -6.403 -9.482 -0.182
42 HE3 NLE 4 HE3 NLE 4 -5.641 -8.326 0.910
43 H CYS 5 HN CYS 5 -3.225 -4.025 -0.159
44 HA CYS 5 HA CYS 5 -1.486 -3.646 -2.436
45 HB2 CYS 5 HB2 CYS 5 -0.825 -2.671 -0.318
46 HB3 CYS 5 HB1 CYS 5 -0.926 -4.241 0.468
47 H THR 6 HN THR 6 -1.569 -5.329 -3.792
48 HA THR 6 HA THR 6 -1.696 -8.051 -2.836
49 HB THR 6 HB THR 6 -1.313 -7.197 -5.701
50 HG1 THR 6 HG1 THR 6 -3.847 -7.442 -4.426
51 HG21 THR 6 HG21 THR 6 -1.226 -9.600 -5.222
52 HG22 THR 6 HG22 THR 6 -2.667 -9.194 -6.155
53 HG23 THR 6 HG23 THR 6 -2.796 -9.502 -4.423
54 H TRP 7 HN TRP 7 0.696 -6.445 -2.230
55 HA TRP 7 HA TRP 7 2.883 -7.379 -3.771
56 HB2 TRP 7 HB2 TRP 7 2.913 -5.413 -2.192
57 HB3 TRP 7 HB1 TRP 7 2.888 -6.556 -0.864
58 HD1 TRP 7 HD1 TRP 7 5.116 -8.091 -0.544
59 HE1 TRP 7 HE1 TRP 7 7.568 -7.595 -1.154
60 HE3 TRP 7 HE3 TRP 7 4.362 -4.274 -3.840
61 HZ2 TRP 7 HZ2 TRP 7 8.991 -5.808 -2.811
62 HZ3 TRP 7 HZ3 TRP 7 6.321 -3.214 -4.891
63 HH2 TRP 7 HH2 TRP 7 8.584 -3.966 -4.387
64 H AIB 8 HN AIB 8 4.200 -9.125 -3.444
65 HB11 AIB 8 HB11 AIB 8 5.170 -11.283 -4.078
66 HB12 AIB 8 HB12 AIB 8 5.427 -12.394 -2.733
67 HB13 AIB 8 HB13 AIB 8 6.015 -10.735 -2.631
68 HB21 AIB 8 HB21 AIB 8 2.993 -12.857 -2.644
69 HB22 AIB 8 HB22 AIB 8 2.861 -11.798 -4.048
70 HB23 AIB 8 HB23 AIB 8 1.857 -11.508 -2.629
71 H GLY 9 HN GLY 9 2.123 -11.826 -0.780
72 HA2 GLY 9 HA2 GLY 9 2.299 -12.758 1.351
73 HA3 GLY 9 HA1 GLY 9 3.959 -12.201 1.437
74 H CYS 10 HN CYS 10 1.871 -9.730 0.434
75 HA CYS 10 HA CYS 10 2.049 -8.580 3.119
76 HB2 CYS 10 HB2 CYS 10 3.013 -7.355 1.161
77 HB3 CYS 10 HB1 CYS 10 1.377 -7.153 0.552
78 H GLY 11 HN GLY 11 -0.351 -7.834 0.571
79 HA2 GLY 11 HA2 GLY 11 -2.640 -7.971 0.602
80 HA3 GLY 11 HA1 GLY 11 -2.485 -9.189 1.857
81 H LYS 12 HN LYS 12 -1.290 -5.890 2.065
82 HA LYS 12 HA LYS 12 -2.897 -5.388 4.416
83 HB2 LYS 12 HB2 LYS 12 -0.519 -4.594 4.144
84 HB3 LYS 12 HB1 LYS 12 -1.088 -3.487 2.906
85 HG2 LYS 12 HG2 LYS 12 -0.914 -2.200 4.836
86 HG3 LYS 12 HG1 LYS 12 -2.634 -2.542 4.678
87 HD2 LYS 12 HD2 LYS 12 -2.460 -4.305 6.336
88 HD3 LYS 12 HD1 LYS 12 -0.717 -4.052 6.448
89 HE2 LYS 12 HE2 LYS 12 -1.160 -1.726 7.186
90 HE3 LYS 12 HE1 LYS 12 -2.883 -2.096 7.199
91 HZ1 LYS 12 HZ1 LYS 12 -0.835 -3.502 8.823
92 HZ2 LYS 12 HZ2 LYS 12 -2.505 -3.753 8.885
93 HZ3 LYS 12 HZ3 LYS 12 -1.851 -2.279 9.397
94 H ARG 13 HN ARG 13 -4.764 -4.161 4.475
95 HA ARG 13 HA ARG 13 -5.766 -3.374 1.823
96 HB2 ARG 13 HB2 ARG 13 -7.276 -4.319 4.260
97 HB3 ARG 13 HB1 ARG 13 -8.040 -3.729 2.789
98 HG2 ARG 13 HG2 ARG 13 -6.990 -5.528 1.518
99 HG3 ARG 13 HG1 ARG 13 -6.223 -6.121 2.993
100 HD2 ARG 13 HD2 ARG 13 -9.194 -5.914 2.512
101 HD3 ARG 13 HD1 ARG 13 -8.243 -7.397 2.425
102 HE ARG 13 HE ARG 13 -7.827 -6.251 4.942
103 HH11 ARG 13 HH11 ARG 13 -11.249 -8.305 4.501
104 HH12 ARG 13 HH12 ARG 13 -10.405 -7.726 3.101
105 HH21 ARG 13 HH21 ARG 13 -8.933 -7.002 6.793
106 HH22 ARG 13 HH22 ARG 13 -10.409 -7.896 6.601
107 H PHE 14 HN PHE 14 -6.908 -1.501 1.531
108 HA PHE 14 HA PHE 14 -7.025 0.440 3.717
109 HB2 PHE 14 HB2 PHE 14 -5.772 1.060 1.029
110 HB3 PHE 14 HB1 PHE 14 -5.961 2.173 2.374
111 HD1 PHE 14 HD1 PHE 14 -4.569 1.982 4.351
112 HD2 PHE 14 HD2 PHE 14 -4.043 -0.569 0.996
113 HE1 PHE 14 HE1 PHE 14 -2.351 1.341 5.196
114 HE2 PHE 14 HE2 PHE 14 -1.826 -1.215 1.827
115 HZ PHE 14 HZ PHE 14 -1.000 -0.285 3.968
116 H THR 15 HN THR 15 -8.297 2.385 3.033
117 HA THR 15 HA THR 15 -10.217 1.747 0.896
118 HB THR 15 HB THR 15 -10.805 3.460 3.318
119 HG1 THR 15 HG1 THR 15 -10.795 0.680 2.981
120 HG21 THR 15 HG21 THR 15 -12.624 2.021 1.375
121 HG22 THR 15 HG22 THR 15 -12.280 3.749 1.358
122 HG23 THR 15 HG23 THR 15 -13.135 3.034 2.724
123 H ARG 16 HN ARG 16 -7.684 3.655 1.751
124 HA ARG 16 HA ARG 16 -8.590 5.861 0.037
125 HB2 ARG 16 HB2 ARG 16 -6.687 5.972 2.380
126 HB3 ARG 16 HB1 ARG 16 -7.044 7.324 1.315
127 HG2 ARG 16 HG2 ARG 16 -9.037 5.893 3.055
128 HG3 ARG 16 HG1 ARG 16 -8.286 7.446 3.418
129 HD2 ARG 16 HD2 ARG 16 -9.327 8.429 1.456
130 HD3 ARG 16 HD1 ARG 16 -10.012 6.867 1.012
131 HE ARG 16 HE ARG 16 -10.962 7.318 3.526
132 HH11 ARG 16 HH11 ARG 16 -11.042 9.093 0.518
133 HH12 ARG 16 HH12 ARG 16 -12.559 9.860 0.859
134 HH21 ARG 16 HH21 ARG 16 -12.963 8.310 3.982
135 HH22 ARG 16 HH22 ARG 16 -13.653 9.422 2.841
136 H SER 17 HN SER 17 -7.349 6.408 -1.639
137 HA SER 17 HA SER 17 -5.501 4.477 -2.588
138 HB2 SER 17 HB2 SER 17 -5.264 6.213 -4.480
139 HB3 SER 17 HB1 SER 17 -6.858 5.501 -4.219
140 HG SER 17 HG SER 17 -6.474 7.976 -4.378
141 H ASP 18 HN ASP 18 -5.158 7.753 -1.323
142 HA ASP 18 HA ASP 18 -2.366 7.955 -1.830
143 HB2 ASP 18 HB2 ASP 18 -4.104 9.425 0.160
144 HB3 ASP 18 HB1 ASP 18 -2.418 9.808 -0.150
145 H GLU 19 HN GLU 19 -4.275 6.560 0.688
146 HA GLU 19 HA GLU 19 -2.197 6.272 2.608
147 HB2 GLU 19 HB2 GLU 19 -4.756 6.123 2.959
148 HB3 GLU 19 HB1 GLU 19 -4.594 4.462 2.407
149 HG2 GLU 19 HG2 GLU 19 -4.587 4.593 4.825
150 HG3 GLU 19 HG1 GLU 19 -3.042 3.999 4.216
151 H LEU 20 HN LEU 20 -3.671 4.075 0.223
152 HA LEU 20 HA LEU 20 -1.904 1.930 0.545
153 HB2 LEU 20 HB2 LEU 20 -3.881 1.648 -0.780
154 HB3 LEU 20 HB1 LEU 20 -3.393 2.921 -1.883
155 HG LEU 20 HG LEU 20 -1.474 1.489 -2.601
156 HD11 LEU 20 HD11 LEU 20 -1.255 0.082 -0.654
157 HD12 LEU 20 HD12 LEU 20 -1.577 -0.913 -2.074
158 HD13 LEU 20 HD13 LEU 20 -2.865 -0.584 -0.918
159 HD21 LEU 20 HD21 LEU 20 -4.176 0.204 -2.954
160 HD22 LEU 20 HD22 LEU 20 -2.780 0.045 -4.018
161 HD23 LEU 20 HD23 LEU 20 -3.596 1.601 -3.859
162 H GLN 21 HN GLN 21 -1.658 4.842 -1.442
163 HA GLN 21 HA GLN 21 0.721 4.249 -2.777
164 HB2 GLN 21 HB2 GLN 21 -0.607 6.136 -3.444
165 HB3 GLN 21 HB1 GLN 21 -0.426 6.889 -1.866
166 HG2 GLN 21 HG2 GLN 21 1.940 7.225 -2.273
167 HG3 GLN 21 HG1 GLN 21 1.799 6.421 -3.835
168 HE21 GLN 21 HE21 GLN 21 0.790 7.467 -5.528
169 HE22 GLN 21 HE22 GLN 21 0.454 9.165 -5.502
170 H ARG 22 HN ARG 22 0.251 6.012 0.280
171 HA ARG 22 HA ARG 22 2.910 6.406 0.977
172 HB2 ARG 22 HB2 ARG 22 1.175 7.436 2.274
173 HB3 ARG 22 HB1 ARG 22 0.485 5.876 2.693
174 HG2 ARG 22 HG2 ARG 22 2.465 5.344 4.017
175 HG3 ARG 22 HG1 ARG 22 3.171 6.904 3.592
176 HD2 ARG 22 HD2 ARG 22 0.539 6.575 5.019
177 HD3 ARG 22 HD1 ARG 22 2.079 6.833 5.837
178 HE ARG 22 HE ARG 22 2.192 8.963 4.518
179 HH11 ARG 22 HH11 ARG 22 -1.751 8.984 5.282
180 HH12 ARG 22 HH12 ARG 22 -0.897 7.472 5.270
181 HH21 ARG 22 HH21 ARG 22 -0.642 10.946 4.854
182 HH22 ARG 22 HH22 ARG 22 1.060 10.932 4.522
183 H HIS 23 HN HIS 23 0.774 3.690 1.720
184 HA HIS 23 HA HIS 23 2.586 2.126 3.135
185 HB2 HIS 23 HB2 HIS 23 0.259 1.573 3.176
186 HB3 HIS 23 HB1 HIS 23 0.210 1.386 1.427
187 HD1 HIS 23 HD1 HIS 23 1.087 -0.484 4.563
188 HD2 HIS 23 HD2 HIS 23 1.342 -0.942 0.430
189 HE1 HIS 23 HE1 HIS 23 1.753 -2.906 4.135
190 H LYS 24 HN LYS 24 1.975 2.296 -0.355
191 HA LYS 24 HA LYS 24 3.689 0.214 -1.122
192 HB2 LYS 24 HB2 LYS 24 2.832 2.713 -2.573
193 HB3 LYS 24 HB1 LYS 24 3.848 1.489 -3.316
194 HG2 LYS 24 HG2 LYS 24 1.072 1.032 -2.242
195 HG3 LYS 24 HG1 LYS 24 1.498 1.242 -3.940
196 HD2 LYS 24 HD2 LYS 24 3.026 -0.748 -3.682
197 HD3 LYS 24 HD1 LYS 24 2.290 -1.005 -2.100
198 HE2 LYS 24 HE2 LYS 24 0.105 -1.248 -3.136
199 HE3 LYS 24 HE1 LYS 24 0.805 -0.931 -4.722
200 HZ1 LYS 24 HZ1 LYS 24 1.442 -3.242 -2.971
201 HZ2 LYS 24 HZ2 LYS 24 2.152 -2.931 -4.474
202 HZ3 LYS 24 HZ3 LYS 24 0.504 -3.290 -4.378
203 H ARG 25 HN ARG 25 4.304 3.555 -0.272
204 HA ARG 25 HA ARG 25 7.011 3.588 -1.169
205 HB2 ARG 25 HB2 ARG 25 5.631 5.289 0.913
206 HB3 ARG 25 HB1 ARG 25 7.217 5.618 0.225
207 HG2 ARG 25 HG2 ARG 25 6.170 5.804 -2.004
208 HG3 ARG 25 HG1 ARG 25 4.594 5.574 -1.249
209 HD2 ARG 25 HD2 ARG 25 4.918 7.587 0.080
210 HD3 ARG 25 HD1 ARG 25 6.518 7.811 -0.627
211 HE ARG 25 HE ARG 25 4.623 7.660 -2.691
212 HH11 ARG 25 HH11 ARG 25 5.054 11.243 -0.935
213 HH12 ARG 25 HH12 ARG 25 5.569 9.814 -0.101
214 HH21 ARG 25 HH21 ARG 25 3.945 9.530 -3.787
215 HH22 ARG 25 HH22 ARG 25 4.135 11.083 -3.038
216 H THR 26 HN THR 26 5.486 2.017 1.377
217 HA THR 26 HA THR 26 7.768 1.926 3.139
218 HB THR 26 HB THR 26 5.323 0.147 3.198
219 HG1 THR 26 HG1 THR 26 5.527 2.822 3.597
220 HG21 THR 26 HG21 THR 26 7.222 1.044 5.368
221 HG22 THR 26 HG22 THR 26 7.187 -0.557 4.631
222 HG23 THR 26 HG23 THR 26 5.817 0.002 5.589
223 H HIS 27 HN HIS 27 6.577 0.163 0.392
224 HA HIS 27 HA HIS 27 8.493 -2.005 0.815
225 HB2 HIS 27 HB2 HIS 27 6.586 -1.459 -1.475
226 HB3 HIS 27 HB1 HIS 27 7.686 -2.831 -1.413
227 HD1 HIS 27 HD1 HIS 27 7.178 -4.559 0.712
228 HD2 HIS 27 HD2 HIS 27 4.177 -1.899 -0.435
229 HE1 HIS 27 HE1 HIS 27 4.983 -5.492 1.630
230 H THR 28 HN THR 28 7.976 0.857 -1.116
231 HA THR 28 HA THR 28 10.485 0.480 -2.548
232 HB THR 28 HB THR 28 9.772 2.649 -3.679
233 HG1 THR 28 HG1 THR 28 7.208 2.073 -2.617
234 HG21 THR 28 HG21 THR 28 9.447 0.501 -4.765
235 HG22 THR 28 HG22 THR 28 8.046 1.532 -5.057
236 HG23 THR 28 HG23 THR 28 7.957 0.240 -3.859
237 H GLY 29 HN GLY 29 10.607 0.885 0.269
238 HA2 GLY 29 HA2 GLY 29 12.695 2.693 0.470
239 HA3 GLY 29 HA1 GLY 29 11.238 3.568 0.926
240 H GLU 30 HN GLU 30 13.389 3.071 2.680
241 HA GLU 30 HA GLU 30 12.062 1.289 4.613
242 HB2 GLU 30 HB2 GLU 30 15.041 1.666 4.260
243 HB3 GLU 30 HB1 GLU 30 14.271 0.673 5.487
244 HG2 GLU 30 HG2 GLU 30 13.375 -0.794 3.779
245 HG3 GLU 30 HG1 GLU 30 14.070 0.222 2.518
246 H LYS 31 HN LYS 31 13.325 4.347 3.896
247 HA LYS 31 HA LYS 31 12.931 5.194 6.676
248 HB2 LYS 31 HB2 LYS 31 15.247 5.960 4.890
249 HB3 LYS 31 HB1 LYS 31 14.851 6.785 6.389
250 HG2 LYS 31 HG2 LYS 31 15.281 4.787 7.662
251 HG3 LYS 31 HG1 LYS 31 15.538 3.860 6.183
252 HD2 LYS 31 HD2 LYS 31 17.662 4.466 7.217
253 HD3 LYS 31 HD1 LYS 31 17.477 5.248 5.648
254 HE2 LYS 31 HE2 LYS 31 16.764 7.312 6.785
255 HE3 LYS 31 HE1 LYS 31 17.009 6.522 8.342
256 HZ1 LYS 31 HZ1 LYS 31 19.124 6.961 6.308
257 HZ2 LYS 31 HZ2 LYS 31 19.340 6.296 7.849
258 HZ3 LYS 31 HZ3 LYS 31 18.891 7.916 7.683
259 HN1 NH2 32 HN1 NH2 32 10.852 5.670 5.596
260 HN2 NH2 32 HN2 NH2 32 10.682 7.197 4.797
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 -15.322 -0.486 -4.333
2 H2 ARG 1 HT2 ARG 1 -14.537 0.649 -3.358
3 H3 ARG 1 HT3 ARG 1 -14.982 -0.850 -2.716
4 HA ARG 1 HA ARG 1 -13.457 -1.963 -4.222
5 HB2 ARG 1 HB2 ARG 1 -12.732 0.878 -4.943
6 HB3 ARG 1 HB1 ARG 1 -11.765 -0.524 -5.370
7 HG2 ARG 1 HG2 ARG 1 -13.428 -1.347 -6.828
8 HG3 ARG 1 HG1 ARG 1 -14.628 -0.210 -6.211
9 HD2 ARG 1 HD2 ARG 1 -12.138 0.477 -7.760
10 HD3 ARG 1 HD1 ARG 1 -13.795 0.544 -8.359
11 HE ARG 1 HE ARG 1 -14.124 2.258 -6.514
12 HH11 ARG 1 HH11 ARG 1 -10.524 3.414 -7.882
13 HH12 ARG 1 HH12 ARG 1 -11.057 1.783 -8.140
14 HH21 ARG 1 HH21 ARG 1 -11.879 4.904 -6.756
15 HH22 ARG 1 HH22 ARG 1 -13.432 4.396 -6.175
16 HA PRO 2 HA PRO 2 -10.916 -1.187 -0.575
17 HB2 PRO 2 HB2 PRO 2 -9.981 -3.685 -0.308
18 HB3 PRO 2 HB1 PRO 2 -11.626 -3.258 0.179
19 HG2 PRO 2 HG2 PRO 2 -10.683 -4.670 -2.276
20 HG3 PRO 2 HG1 PRO 2 -12.127 -4.968 -1.292
21 HD2 PRO 2 HD2 PRO 2 -12.092 -3.549 -3.674
22 HD3 PRO 2 HD1 PRO 2 -13.355 -3.426 -2.434
23 H PHE 3 HN PHE 3 -8.991 -0.253 -0.810
24 HA PHE 3 HA PHE 3 -7.363 -0.842 -3.127
25 HB2 PHE 3 HB2 PHE 3 -6.957 1.152 -0.881
26 HB3 PHE 3 HB1 PHE 3 -5.983 1.048 -2.345
27 HD1 PHE 3 HD1 PHE 3 -7.161 1.340 -4.577
28 HD2 PHE 3 HD2 PHE 3 -8.902 2.435 -0.855
29 HE1 PHE 3 HE1 PHE 3 -8.760 2.791 -5.756
30 HE2 PHE 3 HE2 PHE 3 -10.503 3.887 -2.023
31 HZ PHE 3 HZ PHE 3 -10.439 4.064 -4.479
32 H NLE 4 HN NLE 4 -6.649 -2.879 -2.769
33 HA NLE 4 HA NLE 4 -5.298 -3.488 -0.252
34 HB2 NLE 4 HB1 NLE 4 -6.255 -5.302 -2.466
35 HB3 NLE 4 HB2 NLE 4 -7.096 -4.996 -0.956
36 HG2 NLE 4 HG1 NLE 4 -5.249 -6.033 0.277
37 HG3 NLE 4 HG2 NLE 4 -4.429 -6.356 -1.251
38 HD2 NLE 4 HD1 NLE 4 -6.306 -7.753 -1.971
39 HD3 NLE 4 HD2 NLE 4 -7.134 -7.426 -0.441
40 HE1 NLE 4 HE1 NLE 4 -5.277 -8.458 0.772
41 HE2 NLE 4 HE2 NLE 4 -4.469 -8.796 -0.759
42 HE3 NLE 4 HE3 NLE 4 -5.999 -9.584 -0.377
43 H CYS 5 HN CYS 5 -3.209 -3.767 -0.104
44 HA CYS 5 HA CYS 5 -1.504 -3.523 -2.411
45 HB2 CYS 5 HB2 CYS 5 -0.788 -2.450 -0.379
46 HB3 CYS 5 HB1 CYS 5 -0.950 -3.948 0.525
47 H THR 6 HN THR 6 -1.576 -5.297 -3.700
48 HA THR 6 HA THR 6 -1.625 -7.951 -2.557
49 HB THR 6 HB THR 6 -1.552 -8.660 -4.998
50 HG1 THR 6 HG1 THR 6 -0.715 -6.347 -5.497
51 HG21 THR 6 HG21 THR 6 -3.638 -8.507 -3.713
52 HG22 THR 6 HG22 THR 6 -3.881 -8.041 -5.396
53 HG23 THR 6 HG23 THR 6 -3.776 -6.803 -4.143
54 H TRP 7 HN TRP 7 0.744 -6.392 -1.990
55 HA TRP 7 HA TRP 7 2.912 -7.403 -3.532
56 HB2 TRP 7 HB2 TRP 7 3.051 -5.380 -2.061
57 HB3 TRP 7 HB1 TRP 7 2.944 -6.441 -0.667
58 HD1 TRP 7 HD1 TRP 7 5.092 -7.970 -0.115
59 HE1 TRP 7 HE1 TRP 7 7.571 -7.706 -0.759
60 HE3 TRP 7 HE3 TRP 7 4.576 -4.609 -3.916
61 HZ2 TRP 7 HZ2 TRP 7 9.100 -6.259 -2.638
62 HZ3 TRP 7 HZ3 TRP 7 6.594 -3.833 -5.088
63 HH2 TRP 7 HH2 TRP 7 8.808 -4.639 -4.463
64 H AIB 8 HN AIB 8 4.153 -9.187 -3.181
65 HB11 AIB 8 HB11 AIB 8 5.864 -10.941 -2.513
66 HB12 AIB 8 HB12 AIB 8 4.845 -11.457 -3.858
67 HB13 AIB 8 HB13 AIB 8 5.134 -12.546 -2.502
68 HB21 AIB 8 HB21 AIB 8 2.492 -11.767 -3.582
69 HB22 AIB 8 HB22 AIB 8 1.680 -11.376 -2.069
70 HB23 AIB 8 HB23 AIB 8 2.706 -12.806 -2.174
71 H GLY 9 HN GLY 9 2.153 -11.801 -0.293
72 HA2 GLY 9 HA2 GLY 9 2.562 -12.641 1.858
73 HA3 GLY 9 HA1 GLY 9 4.169 -11.939 1.807
74 H CYS 10 HN CYS 10 1.914 -9.694 0.761
75 HA CYS 10 HA CYS 10 1.948 -8.441 3.414
76 HB2 CYS 10 HB2 CYS 10 3.057 -7.227 1.561
77 HB3 CYS 10 HB1 CYS 10 1.517 -7.152 0.720
78 H GLY 11 HN GLY 11 -0.222 -7.826 0.656
79 HA2 GLY 11 HA2 GLY 11 -2.501 -7.947 0.476
80 HA3 GLY 11 HA1 GLY 11 -2.464 -9.148 1.756
81 H LYS 12 HN LYS 12 -1.330 -5.819 2.032
82 HA LYS 12 HA LYS 12 -3.104 -5.424 4.284
83 HB2 LYS 12 HB2 LYS 12 -0.698 -4.676 4.254
84 HB3 LYS 12 HB1 LYS 12 -1.154 -3.462 3.069
85 HG2 LYS 12 HG2 LYS 12 -1.031 -2.473 5.255
86 HG3 LYS 12 HG1 LYS 12 -2.701 -2.476 4.692
87 HD2 LYS 12 HD2 LYS 12 -3.231 -4.354 6.090
88 HD3 LYS 12 HD1 LYS 12 -1.537 -4.553 6.540
89 HE2 LYS 12 HE2 LYS 12 -3.197 -2.112 7.150
90 HE3 LYS 12 HE1 LYS 12 -2.920 -3.435 8.281
91 HZ1 LYS 12 HZ1 LYS 12 -0.545 -2.977 8.162
92 HZ2 LYS 12 HZ2 LYS 12 -1.399 -1.616 8.686
93 HZ3 LYS 12 HZ3 LYS 12 -0.824 -1.693 7.098
94 H ARG 13 HN ARG 13 -5.034 -4.447 4.180
95 HA ARG 13 HA ARG 13 -5.848 -3.331 1.597
96 HB2 ARG 13 HB2 ARG 13 -7.543 -4.151 3.960
97 HB3 ARG 13 HB1 ARG 13 -8.141 -3.651 2.385
98 HG2 ARG 13 HG2 ARG 13 -7.050 -5.597 1.369
99 HG3 ARG 13 HG1 ARG 13 -6.503 -6.107 2.968
100 HD2 ARG 13 HD2 ARG 13 -9.364 -5.802 2.066
101 HD3 ARG 13 HD1 ARG 13 -8.509 -7.319 2.334
102 HE ARG 13 HE ARG 13 -8.463 -5.710 4.672
103 HH11 ARG 13 HH11 ARG 13 -11.561 -8.217 4.143
104 HH12 ARG 13 HH12 ARG 13 -10.563 -7.789 2.791
105 HH21 ARG 13 HH21 ARG 13 -9.773 -6.267 6.449
106 HH22 ARG 13 HH22 ARG 13 -11.105 -7.356 6.229
107 H PHE 14 HN PHE 14 -6.625 -1.301 1.322
108 HA PHE 14 HA PHE 14 -6.901 0.426 3.685
109 HB2 PHE 14 HB2 PHE 14 -5.579 1.220 1.079
110 HB3 PHE 14 HB1 PHE 14 -5.799 2.246 2.491
111 HD1 PHE 14 HD1 PHE 14 -4.496 1.876 4.512
112 HD2 PHE 14 HD2 PHE 14 -3.849 -0.408 0.988
113 HE1 PHE 14 HE1 PHE 14 -2.321 1.143 5.393
114 HE2 PHE 14 HE2 PHE 14 -1.674 -1.146 1.857
115 HZ PHE 14 HZ PHE 14 -0.927 -0.399 4.086
116 H THR 15 HN THR 15 -8.267 2.296 3.310
117 HA THR 15 HA THR 15 -10.299 1.798 1.246
118 HB THR 15 HB THR 15 -10.548 3.588 3.672
119 HG1 THR 15 HG1 THR 15 -10.117 1.315 4.170
120 HG21 THR 15 HG21 THR 15 -12.198 3.993 1.908
121 HG22 THR 15 HG22 THR 15 -12.959 3.265 3.325
122 HG23 THR 15 HG23 THR 15 -12.620 2.281 1.901
123 H ARG 16 HN ARG 16 -7.655 3.701 1.901
124 HA ARG 16 HA ARG 16 -8.599 5.828 0.098
125 HB2 ARG 16 HB2 ARG 16 -6.554 6.058 2.313
126 HB3 ARG 16 HB1 ARG 16 -7.057 7.358 1.245
127 HG2 ARG 16 HG2 ARG 16 -8.840 5.922 3.197
128 HG3 ARG 16 HG1 ARG 16 -8.094 7.497 3.463
129 HD2 ARG 16 HD2 ARG 16 -9.313 8.382 1.528
130 HD3 ARG 16 HD1 ARG 16 -10.065 6.807 1.288
131 HE ARG 16 HE ARG 16 -10.827 7.283 3.757
132 HH11 ARG 16 HH11 ARG 16 -10.723 9.485 1.039
133 HH12 ARG 16 HH12 ARG 16 -12.039 10.456 1.616
134 HH21 ARG 16 HH21 ARG 16 -12.559 8.563 4.519
135 HH22 ARG 16 HH22 ARG 16 -13.077 9.935 3.596
136 H SER 17 HN SER 17 -7.432 6.145 -1.705
137 HA SER 17 HA SER 17 -5.524 4.233 -2.514
138 HB2 SER 17 HB2 SER 17 -6.005 6.921 -3.803
139 HB3 SER 17 HB1 SER 17 -5.435 5.442 -4.574
140 HG SER 17 HG SER 17 -7.412 4.688 -4.648
141 H ASP 18 HN ASP 18 -5.223 7.553 -1.352
142 HA ASP 18 HA ASP 18 -2.436 7.767 -1.869
143 HB2 ASP 18 HB2 ASP 18 -2.520 9.712 -0.307
144 HB3 ASP 18 HB1 ASP 18 -3.703 9.790 -1.605
145 H GLU 19 HN GLU 19 -4.321 6.477 0.734
146 HA GLU 19 HA GLU 19 -2.216 6.210 2.615
147 HB2 GLU 19 HB2 GLU 19 -4.706 6.033 3.081
148 HB3 GLU 19 HB1 GLU 19 -4.641 4.429 2.371
149 HG2 GLU 19 HG2 GLU 19 -4.537 4.204 4.728
150 HG3 GLU 19 HG1 GLU 19 -2.951 3.809 4.071
151 H LEU 20 HN LEU 20 -3.590 4.095 0.129
152 HA LEU 20 HA LEU 20 -1.874 1.902 0.499
153 HB2 LEU 20 HB2 LEU 20 -3.865 1.674 -0.823
154 HB3 LEU 20 HB1 LEU 20 -3.333 2.916 -1.938
155 HG LEU 20 HG LEU 20 -1.512 1.435 -2.704
156 HD11 LEU 20 HD11 LEU 20 -2.795 -0.582 -0.871
157 HD12 LEU 20 HD12 LEU 20 -1.185 0.120 -0.698
158 HD13 LEU 20 HD13 LEU 20 -1.548 -0.933 -2.066
159 HD21 LEU 20 HD21 LEU 20 -4.217 0.107 -2.838
160 HD22 LEU 20 HD22 LEU 20 -2.889 -0.071 -3.986
161 HD23 LEU 20 HD23 LEU 20 -3.719 1.478 -3.830
162 H GLN 21 HN GLN 21 -1.594 4.736 -1.634
163 HA GLN 21 HA GLN 21 0.859 4.058 -2.820
164 HB2 GLN 21 HB2 GLN 21 -0.371 6.755 -2.232
165 HB3 GLN 21 HB1 GLN 21 1.089 6.544 -3.190
166 HG2 GLN 21 HG2 GLN 21 -0.099 5.333 -4.865
167 HG3 GLN 21 HG1 GLN 21 -1.552 5.274 -3.868
168 HE21 GLN 21 HE21 GLN 21 -1.125 6.342 -6.555
169 HE22 GLN 21 HE22 GLN 21 -1.613 7.999 -6.493
170 H ARG 22 HN ARG 22 0.151 6.006 0.043
171 HA ARG 22 HA ARG 22 2.699 6.603 0.935
172 HB2 ARG 22 HB2 ARG 22 0.638 7.465 1.937
173 HB3 ARG 22 HB1 ARG 22 0.239 5.864 2.525
174 HG2 ARG 22 HG2 ARG 22 2.240 5.934 3.972
175 HG3 ARG 22 HG1 ARG 22 2.535 7.588 3.425
176 HD2 ARG 22 HD2 ARG 22 0.373 8.285 4.293
177 HD3 ARG 22 HD1 ARG 22 0.018 6.634 4.791
178 HE ARG 22 HE ARG 22 2.385 7.897 5.930
179 HH11 ARG 22 HH11 ARG 22 -0.905 7.011 8.059
180 HH12 ARG 22 HH12 ARG 22 -0.925 6.816 6.331
181 HH21 ARG 22 HH21 ARG 22 0.999 7.747 9.119
182 HH22 ARG 22 HH22 ARG 22 2.417 8.129 8.195
183 H HIS 23 HN HIS 23 0.738 3.737 1.521
184 HA HIS 23 HA HIS 23 2.546 2.387 3.187
185 HB2 HIS 23 HB2 HIS 23 0.282 1.680 3.199
186 HB3 HIS 23 HB1 HIS 23 0.258 1.476 1.453
187 HD1 HIS 23 HD1 HIS 23 1.321 -0.286 4.618
188 HD2 HIS 23 HD2 HIS 23 1.295 -0.870 0.492
189 HE1 HIS 23 HE1 HIS 23 1.945 -2.726 4.219
190 H LYS 24 HN LYS 24 2.035 2.251 -0.317
191 HA LYS 24 HA LYS 24 3.705 0.123 -0.944
192 HB2 LYS 24 HB2 LYS 24 3.016 2.608 -2.504
193 HB3 LYS 24 HB1 LYS 24 3.983 1.308 -3.181
194 HG2 LYS 24 HG2 LYS 24 1.220 0.884 -2.076
195 HG3 LYS 24 HG1 LYS 24 1.538 1.294 -3.763
196 HD2 LYS 24 HD2 LYS 24 2.997 -0.716 -3.910
197 HD3 LYS 24 HD1 LYS 24 2.498 -1.146 -2.275
198 HE2 LYS 24 HE2 LYS 24 0.190 -1.315 -2.990
199 HE3 LYS 24 HE1 LYS 24 0.628 -0.782 -4.611
200 HZ1 LYS 24 HZ1 LYS 24 0.373 -3.171 -4.532
201 HZ2 LYS 24 HZ2 LYS 24 1.525 -3.291 -3.304
202 HZ3 LYS 24 HZ3 LYS 24 1.985 -2.775 -4.846
203 H ARG 25 HN ARG 25 4.526 3.374 -0.046
204 HA ARG 25 HA ARG 25 7.116 3.529 -1.113
205 HB2 ARG 25 HB2 ARG 25 6.030 4.798 1.402
206 HB3 ARG 25 HB1 ARG 25 7.516 5.268 0.589
207 HG2 ARG 25 HG2 ARG 25 6.241 5.932 -1.378
208 HG3 ARG 25 HG1 ARG 25 4.745 5.440 -0.581
209 HD2 ARG 25 HD2 ARG 25 4.954 7.813 -0.365
210 HD3 ARG 25 HD1 ARG 25 5.241 7.092 1.218
211 HE ARG 25 HE ARG 25 7.657 7.532 -0.263
212 HH11 ARG 25 HH11 ARG 25 6.397 10.277 2.387
213 HH12 ARG 25 HH12 ARG 25 5.296 9.059 1.825
214 HH21 ARG 25 HH21 ARG 25 9.093 9.130 0.452
215 HH22 ARG 25 HH22 ARG 25 8.559 10.329 1.594
216 H THR 26 HN THR 26 5.931 1.588 1.443
217 HA THR 26 HA THR 26 8.425 1.388 2.862
218 HB THR 26 HB THR 26 7.369 -0.463 4.100
219 HG1 THR 26 HG1 THR 26 5.014 0.035 2.579
220 HG21 THR 26 HG21 THR 26 6.992 1.832 4.847
221 HG22 THR 26 HG22 THR 26 5.572 0.830 5.150
222 HG23 THR 26 HG23 THR 26 5.586 1.952 3.790
223 H HIS 27 HN HIS 27 6.846 -0.342 0.259
224 HA HIS 27 HA HIS 27 8.724 -2.557 0.405
225 HB2 HIS 27 HB2 HIS 27 6.595 -1.973 -1.662
226 HB3 HIS 27 HB1 HIS 27 7.542 -3.448 -1.561
227 HD1 HIS 27 HD1 HIS 27 7.097 -4.790 0.911
228 HD2 HIS 27 HD2 HIS 27 4.214 -2.176 -0.588
229 HE1 HIS 27 HE1 HIS 27 4.865 -5.472 1.964
230 H THR 28 HN THR 28 7.909 0.076 -1.843
231 HA THR 28 HA THR 28 10.551 -0.004 -2.990
232 HB THR 28 HB THR 28 9.465 -1.864 -4.171
233 HG1 THR 28 HG1 THR 28 10.630 -1.173 -5.780
234 HG21 THR 28 HG21 THR 28 7.443 0.210 -5.005
235 HG22 THR 28 HG22 THR 28 7.149 -1.213 -4.006
236 HG23 THR 28 HG23 THR 28 7.577 -1.400 -5.708
237 H GLY 29 HN GLY 29 10.375 1.484 -5.145
238 HA2 GLY 29 HA2 GLY 29 9.525 3.519 -6.044
239 HA3 GLY 29 HA1 GLY 29 8.649 3.788 -4.541
240 H GLU 30 HN GLU 30 10.697 3.285 -2.744
241 HA GLU 30 HA GLU 30 13.029 4.815 -3.376
242 HB2 GLU 30 HB2 GLU 30 12.693 6.565 -1.711
243 HB3 GLU 30 HB1 GLU 30 11.430 6.633 -2.928
244 HG2 GLU 30 HG2 GLU 30 9.882 5.543 -1.407
245 HG3 GLU 30 HG1 GLU 30 11.151 5.423 -0.186
246 H LYS 31 HN LYS 31 14.503 4.884 -1.462
247 HA LYS 31 HA LYS 31 13.970 2.617 0.337
248 HB2 LYS 31 HB2 LYS 31 16.536 3.149 -1.173
249 HB3 LYS 31 HB1 LYS 31 16.316 1.893 0.036
250 HG2 LYS 31 HG2 LYS 31 14.809 0.703 -1.342
251 HG3 LYS 31 HG1 LYS 31 14.669 2.052 -2.471
252 HD2 LYS 31 HD2 LYS 31 17.202 0.496 -1.956
253 HD3 LYS 31 HD1 LYS 31 16.104 0.209 -3.307
254 HE2 LYS 31 HE2 LYS 31 16.463 2.573 -4.011
255 HE3 LYS 31 HE1 LYS 31 17.676 2.720 -2.741
256 HZ1 LYS 31 HZ1 LYS 31 18.918 0.922 -3.808
257 HZ2 LYS 31 HZ2 LYS 31 18.713 2.242 -4.844
258 HZ3 LYS 31 HZ3 LYS 31 17.769 0.856 -5.047
259 HN1 NH2 32 HN1 NH2 32 16.848 4.584 -0.089
260 HN2 NH2 32 HN2 NH2 32 16.808 5.325 1.474